SPERMIDINE PHOSPHATE(49721-50-8) 13C NMR
Product NameSPERMIDINE PHOSPHATE
CAS49721-50-8
Molecular FormulaC7H22N3O4P
Molecular Weight243.24
InChIInChI=1S/2C7H19N3.3H3O4P/c2*8-4-1-2-6-10-7-3-5-9;3*1-5(2,3)4/h2*10H,1-9H2;3*(H3,1,2,3,4)
InChIKey RQFVSMCFDFGRDX-UHFFFAOYSA-N
SmilesP(=O)(O)(O)O.P(=O)(O)(O)O.P(=O)(O)(O)O.C(CCCN)NCCCN.C(CCCN)NCCCN
400 MHz in D2O
-
1H NMR 399.65 MHz C7 H19 N3 saturated in D2O N-(3-aminopropyl)tetramethylenediamine phosphate 
Assign. Shift(ppm)
A 3.16 B 3.11 C 3.04 D 2.108 E 1.78
Hz ppm Int.1268.92 3.176 588 1260.99 3.156 612 1252.81 3.135 812 1249.51 3.127 904 1243.65 3.112 784 1241.70 3.107 1000 1237.18 3.096 565 1233.89 3.088 810 1230.22 3.079 145 1228.15 3.074 112 1227.05 3.071 116 1224.12 3.063 470 1221.07 3.056 195 1216.67 3.045 683 1209.84 3.028 408 1206.05 3.018 77 1205.08 3.016 72 1204.71 3.015 70 858.15 2.148 165 852.29 2.133 191 850.22 2.128 320 848.39 2.123 230 845.21 2.115 213 842.29 2.108 559 839.36 2.101 218 836.55 2.094 214 834.35 2.088 298 832.64 2.084 219 826.54 2.069 157 714.60 1.789 740 711.18 1.780 679 707.52 1.771 756
in D2O
KBr disc
nujol mull
