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(S)-N-[(Z)-Heptadec-9-enoyl]alanine Methyl Ester
SpectraBase Compound ID 3ZkXJejQIma
InChI InChI=1S/C21H39NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25-3/h10-11,19H,4-9,12-18H2,1-3H3,(H,22,23)/b11-10-/t19-/m0/s1
InChIKey OJZBLOCILRMIJH-GDWUOILNSA-N
Mol Weight 353.5 g/mol
Molecular Formula C21H39NO3
Exact Mass 353.292994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A2gljAXtljR
Name (S)-N-[(Z)-Heptadec-9-enoyl]alanine Methyl Ester
Alternate Name(s) Methyl N-[(9Z)-heptadec-9-enoyl]-l-alaninate (S,Z)-methyl 2-(heptadec-9-enamido)propanoate
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Formula C21H39NO3
InChI InChI=1S/C21H39NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22-19(2)21(24)25-3/h10-11,19H,4-9,12-18H2,1-3H3,(H,22,23)/b11-10-/t19-/m0/s1
InChIKey OJZBLOCILRMIJH-GDWUOILNSA-N
Literature Reference DOI 10.1002/cbdv.201300210
Molecular Weight 353.547 g/mol
SMILES N([C@](C(=O)OC)(C)[H])C(CCCCCCC\C=C/CCCCCCC)=O
SPLASH splash10-0udl-9800000000-fbb887f400be2fe427ae
Source of Spectrum CBD-10-1571-6
Wiley ID 1771222