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(2R,3Z,7E,9E,13R)-2-amino-13-methoxy-10-methyl-1-hexadeca-3,7,9,15-tetraenol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(2R,3Z,7E,9E,13R)-2-amino-13-methoxy-10-methyl-1-hexadeca-3,7,9,15-tetraenol
SpectraBase Compound ID 3sNRCkreZd8
InChI InChI=1S/C18H31NO2/c1-4-10-18(21-3)14-13-16(2)11-8-6-5-7-9-12-17(19)15-20/h4,6,8-9,11-12,17-18,20H,1,5,7,10,13-15,19H2,2-3H3/b8-6+,12-9-,16-11+/t17-,18+/m1/s1
InChIKey FNBNQCFXWYVXKU-NWPNHRSPSA-N
Mol Weight 293.45 g/mol
Molecular Formula C18H31NO2
Exact Mass 293.235479 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FWNNglztkSs
Name (2R,3Z,7E,9E,13R)-2-Amino-13-methoxy-10-methyl-1-hexadeca-3,7,9,15-tetraenol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 293.235479240 u
Formula C18H31NO2
InChI InChI=1S/C18H31NO2/c1-4-10-18(21-3)14-13-16(2)11-8-6-5-7-9-12-17(19)15-20/h4,6,8-9,11-12,17-18,20H,1,5,7,10,13-15,19H2,2-3H3/b8-6+,12-9-,16-11+/t17-,18+/m1/s1
InChIKey FNBNQCFXWYVXKU-NWPNHRSPSA-N
SMILES C(\C(=C\C=C\CC\C=C/[C@@](N)(CO)[H])C)C[C@@](OC)(CC=C)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959839