| SpectraBase Spectrum ID |
DkNwGyTBpc8 |
| Name |
Acetovanillone |
| CAS Registry Number |
498-02-2 |
| Classification |
Drug intermediate |
| Comments |
Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
166.062994179 u |
| Formula |
C9H10O3 |
| InChI |
InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3 |
| InChIKey |
DFYRUELUNQRZTB-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.176 g/mol |
| Nominal Mass |
166 u |
| Quality |
996 |
| Retention Index |
1200 |
| SMILES |
OC1=C(C=C(C(=O)C)C=C1)OC |
| SPLASH |
splash10-0udi-4900000000-bbb2d5ee1585aad9f367 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Apocynin
1-(4-hydroxy-3-methoxyphenyl)ethanone |
| Technique |
GC/MS |
| Wiley ID |
DD2024_031199 |
