METHYL O-METHYLPODOCARPATE(1231-74-9) IR2
Product NameMETHYL O-METHYLPODOCARPATE
CAS1231-74-9
Molecular FormulaC19H26O3
Molecular Weight302.41
InChIInChI=1S/C19H26O3/c1-18-10-5-11-19(2,17(20)22-4)16(18)9-7-13-6-8-14(21-3)12-15(13)18/h6,8,12,16H,5,7,9-11H2,1-4H3/t16-,18-,19+/m1/s1
InChIKey BSKWXDWRTACMCC-QRQLOZEOSA-N
Smiles[C@]1(C)(C(OC)=O)[C@@]2([H])[C@@](C)(C3=C(CC2)C=CC(OC)=C3)CCC1
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MassMS-NW-6713 methyl O-methylpodocarpate C19H26O3 (Mass of molecular ion: 302)
Source Temperature: 200 °C Sample Temperature: 140 °C Direct, 75 eV
15.0 5.8 18.0 2.7 27.0 2.5 28.0 2.2 29.0 3.2 31.0 1.1 39.0 4.1 41.0 10.1 43.0 1.7 45.0 1.4 51.0 2.1 53.0 2.8 55.0 5.9 59.0 3.0 63.0 1.5 65.0 2.2 67.0 2.8 69.0 3.9 73.0 1.5 77.0 4.2 78.0 1.5 79.0 2.1 81.0 3.1 83.0 1.0 89.0 1.2 91.0 6.4 93.0 1.6 95.0 1.3 101.0 3.4 102.0 1.3 103.0 2.4 104.0 1.1 105.0 1.9 107.0 1.3 115.0 8.2 116.0 2.8 117.0 2.3 119.0 1.6 121.0 11.1 122.0 1.3 127.0 2.8 128.0 7.1 129.0 5.3 130.0 2.0 131.0 2.2 134.0 10.6 135.0 5.9 141.0 4.3 142.0 2.1 143.0 2.2 144.0 3.1 145.0 4.9 146.0 2.8 147.0 14.2 148.0 2.4 151.0 1.1 152.0 1.8 153.0 2.3 154.0 1.1 155.0 1.9 157.0 1.8 158.0 5.7 159.0 9.0 160.0 3.0 161.0 13.9 162.0 2.0 165.0 1.8 167.0 1.1 169.0 1.2 171.0 19.3 172.0 5.9 173.0 14.0 174.0 4.8 175.0 1.7 184.0 1.1 185.0 6.0 186.0 2.0 187.0 5.7 188.0 1.4 197.0 1.4 198.0 1.5 199.0 3.3 200.0 1.7 201.0 1.5 211.0 1.3 212.0 1.0 213.0 1.8 225.0 1.5 227.0 100.0 228.0 19.1 229.0 2.7 240.0 1.0 241.0 1.4 242.0 3.3 243.0 4.2 244.0 1.5 255.0 3.3 287.0 4.2 288.0 1.0 302.0 58.2 303.0 12.2 304.0 1.7
400 MHz in CDCl3
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1H NMR 399.65 MHz C19 H26 O3 0.041 g : 0.5 ml CDCl3 methyl o-methylpodocarpate 
Assign. Shift(ppm)
A 6.960 B 6.807 C 6.668 D 3.762 E 3.655 F *1 2.842 G *1 2.724 J *2 2.26 K *3 2.21 L *4 2.16 M *5 2.00 N *4 1.97 P *5 1.624 Q 1.525 R *3 1.398 S 1.269 T *2 1.079 U 1.031 ASSIGNED BY H-H AND C-H COSY
Hz ppm Int.2786.25 6.972 88 2777.95 6.951 101 2721.80 6.811 120 2719.24 6.805 126 2670.29 6.682 89 2667.60 6.675 79 2661.87 6.661 77 2659.30 6.655 69 1503.54 3.763 954 1460.94 3.656 1000 1132.81 2.835 38 1131.23 2.831 39 1127.32 2.821 41 1125.85 2.818 36 915.16 2.290 36 901.12 2.255 49 897.83 2.247 47 883.54 2.211 38 862.55 2.159 35 856.57 2.144 33 803.83 2.012 37 800.17 2.003 35 793.95 1.987 32 789.92 1.977 46 787.60 1.971 46 786.38 1.968 42 782.10 1.957 38 775.15 1.940 35 774.05 1.937 35 655.64 1.641 37 641.48 1.606 31 616.09 1.542 67 614.50 1.538 67 603.88 1.512 62 602.17 1.507 56 560.06 1.402 39 556.03 1.392 36 507.57 1.271 686 442.75 1.108 35 433.35 1.085 55 429.20 1.074 54 419.92 1.051 32 412.23 1.032 560
in CDCl3
KBr disc
nujol mull
