| SpectraBase Spectrum ID |
JI8TufE7WlM |
| Name |
4-Hydroxy-benzeneaceticacid ME |
| CAS Registry Number |
14199-15-6 |
| Classification |
Chemical |
| Comments |
Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
166.062994179 u |
| Formula |
C9H10O3 |
| InChI |
InChI=1S/C9H10O3/c1-12-9(11)6-7-2-4-8(10)5-3-7/h2-5,10H,6H2,1H3 |
| InChIKey |
XGDZEDRBLVIUMX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
166.176 g/mol |
| Nominal Mass |
166 u |
| Quality |
838 |
| Retention Index |
1200 |
| SMILES |
OC=1C=CC(=CC1)CC(OC)=O |
| SPLASH |
splash10-0a4i-3900000000-690af5a55be8bcdf514b |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-Hydroxy-benzeneacetic acid methyl ester |
| Technique |
GC/MS |
| Wiley ID |
DD2024_002307 |
