| SpectraBase Spectrum ID |
JHdhiLfOlIu |
| Name |
Capsaicin |
| CAS Registry Number |
404-86-4 |
| Classification |
Ingredient of red pepper, lacrimator, neurotoxic |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| 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 |
995 |
| Retention Index |
2508 |
| SMILES |
OC1=C(C=C(CNC(CCCC\C=C\C(C)C)=O)C=C1)OC |
| SPLASH |
splash10-000i-3900000000-d4efb1fdf5704f9a21a3 |
| 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_000432 |
