| SpectraBase Spectrum ID |
2nj0YEMsPLM |
| Name |
Vanillin |
| CAS Registry Number |
121-33-5 |
| Classification |
Flavor |
| Comments |
Spectrum verified by crosschecking against external libraries (five reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
152.047344115 u |
| Formula |
C8H8O3 |
| InChI |
InChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3 |
| InChIKey |
MWOOGOJBHIARFG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
152.149 g/mol |
| Nominal Mass |
152 u |
| Quality |
1000 |
| Retention Index |
1138 |
| SMILES |
OC1=C(C=C(C=O)C=C1)OC |
| SPLASH |
splash10-0udi-3900000000-d7f3ba0aa790958ef6de |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Hydroxy-3-methoxy-benzaldehyde |
| Technique |
GC/MS |
| Wiley ID |
DD2024_027908 |
