| SpectraBase Spectrum ID |
GX3pqUK5dtw |
| Name |
Mandelic acid |
| CAS Registry Number |
611-72-3 |
| Classification |
Drug precursor |
| 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 |
152.047344115 u |
| Formula |
C8H8O3 |
| InChI |
InChI=1S/C8H8O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7,9H,(H,10,11) |
| InChIKey |
IWYDHOAUDWTVEP-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
152.149 g/mol |
| Nominal Mass |
152 u |
| Quality |
982 |
| Retention Index |
1099 |
| SMILES |
OC(C(C1=CC=CC=C1)O)=O |
| SPLASH |
splash10-0a6r-9500000000-739f6b3dd35e568fc60a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Almond acid
Amygdalic acid
Phenylglycolic acid
Uromaline
alpha-Hydroxyphenylacetic acid
hydroxy(phenyl)acetic acid |
| Technique |
GC/MS |
| Wiley ID |
DD2024_015192 |
