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trans-8-methyl-N-vanillyl-6-nonenamide
SpectraBase Compound ID EgJJGRSZpAX
InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
InChIKey YKPUWZUDDOIDPM-SOFGYWHQSA-N
Mol Weight 305.42 g/mol
Molecular Formula C18H27NO3
Exact Mass 305.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIjIqqE6iPI
Name Capsaicin
CAS Registry Number 404-86-4
Classification Ingredient of red pepper, lacrimator, neurotoxic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 305.199093730 u
Formula C18H27NO3
InChI InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
InChIKey YKPUWZUDDOIDPM-SOFGYWHQSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 305.418 g/mol
Nominal Mass 305 u
Quality 962
Retention Index 2508
SMILES OC1=C(C=C(CNC(CCCC\C=C\C(C)C)=O)C=C1)OC
SPLASH splash10-000i-3900000000-6cf8313bd0e1737d3148
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms N-[(4-Hydroxy-3-methoxyphenyl)methyl]-8-methyl-non-6-enamide
Technique GC/MS
Wiley ID DD2024_014074