BOC-GLU(OBZL)-OH DCHA(13574-84-0) IR1
Product NameBOC-GLU(OBZL)-OH DCHA
CAS13574-84-0
Molecular FormulaC29H46N2O6
Molecular Weight518.69
InChIInChI=1/C17H23NO6.C12H23N/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21);11-13H,1-10H2/t13-;/s3
InChIKey PLGYLOMCRIZGSY-PHCOUKOGNA-N
SmilesC1(CCCCC1)NC1CCCCC1.C1(C=CC=CC=1)COC(=O)CC[C@@H](C(=O)O)NC(=O)OC(C)(C)C |&1:25,r|
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MassMS-NW-9130 N-tert-butoxycarbonyl-L-glutamic acid gamma-benzyl ester dicyclohexylamine salt C17H23NO6 C12H23N (Mass of molecular ion: 337)
Source Temperature: 230 °C Sample Temperature: 150 °C Direct, 75 eV
18.0 3.6 27.0 2.6 28.0 6.7 29.0 6.6 30.0 1.3 31.0 3.8 39.0 5.6 40.0 1.0 41.0 20.3 42.0 1.7 43.0 5.0 44.0 6.9 51.0 2.3 53.0 1.0 54.0 1.0 55.0 4.7 56.0 13.0 57.0 63.8 58.0 3.7 59.0 13.8 63.0 1.0 65.0 6.0 74.0 1.1 77.0 4.5 78.0 1.1 79.0 7.8 82.0 2.0 83.0 1.4 84.0 17.0 85.0 3.6 87.0 1.1 89.0 2.1 90.0 3.7 91.0 100.0 92.0 10.6 100.0 3.1 101.0 2.1 102.0 5.0 103.0 5.4 105.0 1.3 107.0 13.2 108.0 19.8 109.0 1.6 119.0 2.8 128.0 4.5 129.0 2.6 130.0 9.5 138.0 12.4 139.0 1.4 146.0 11.5 147.0 2.6 174.0 3.4 181.0 1.7 190.0 1.6 192.0 22.6 193.0 2.9 236.0 3.9 237.0 5.6 238.0 1.3 263.0 1.0 281.0 11.2 282.0 1.9 292.0 1.6
400 MHz in CDCl3
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1H NMR 399.65 MHz C17 H23 N O6 0.042 g : 0.5 ml CDCl3 N-tert-butoxycarbonyl-L-glutamic acid gamma-benzyl ester dicyclohexylamine salt 
Assign. Shift(ppm)
A 7.33 B 5.51 C *1 5.098 D *1 5.091 E 3.99 F 2.95 G *2 2.525 J *2 2.367 K *3 2.237 L *3 2.02 M 1.98 N 1.75 P 1.60 Q 1.433 R 1.39 S 1.17
Hz ppm Int.2937.01 7.349 36 2934.88 7.344 113 2933.96 7.342 119 2932.59 7.338 136 2929.84 7.332 902 2926.18 7.322 141 2924.04 7.317 91 2921.60 7.311 53 2919.01 7.304 35 2917.63 7.301 43 2204.59 5.517 32 2198.03 5.500 34 2036.74 5.097 297 2035.37 5.093 261 1595.76 3.993 31 1595.46 3.993 31 1190.49 2.979 35 1182.56 2.959 44 1179.05 2.951 71 1175.38 2.942 45 1167.45 2.922 38 793.00 1.985 119 782.47 1.958 120 703.58 1.761 82 697.33 1.745 96 697.02 1.745 96 696.72 1.744 96 694.73 1.739 99 644.99 1.614 69 635.38 1.590 58 572.66 1.433 1000 564.88 1.414 115 561.98 1.407 118 552.37 1.383 96 549.93 1.377 100 540.77 1.354 41 537.72 1.346 37 498.66 1.248 31 486.15 1.217 80 473.02 1.184 111 464.17 1.162 120 456.24 1.142 63 443.57 1.110 31
in CDCl3
KBr disc
nujol mull
