| SpectraBase Spectrum ID |
Inh2I1d6jCQ |
| Name |
3-Hydroxy-4-methoxybenzoic acid |
| CAS Registry Number |
645-08-9 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two 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 |
168.042258734 u |
| Formula |
C8H8O4 |
| InChI |
InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11) |
| InChIKey |
LBKFGYZQBSGRHY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.148 g/mol |
| Nominal Mass |
168 u |
| Quality |
995 |
| Retention Index |
1208 |
| SMILES |
OC1=CC(C(=O)O)=CC=C1OC |
| SPLASH |
splash10-0uxr-6900000000-6da63bd5dad949a0e462 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Isovanillic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_021696 |
