| SpectraBase Compound ID | 4CWfJAYgqvt |
|---|---|
| InChI | InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13) |
| InChIKey | JNJCEALGCZSIGB-UHFFFAOYSA-N |
| Mol Weight | 180.2 g/mol |
| Molecular Formula | C10H12O3 |
| Exact Mass | 180.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | CzzRjZ7ymo7 |
|---|---|
| Name | BENZENEBUTANOIC ACID, alpha-HYDROXY- |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C10H12O3 |
| InChI | InChI=1S/C10H12O3/c11-9(10(12)13)7-6-8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13) |
| InChIKey | JNJCEALGCZSIGB-UHFFFAOYSA-N |
| Molecular Weight | 180.0783 |
| SMILES | OC(C(O)CCc1ccccc1)=O |
| SPLASH | splash10-054o-9500000000-b3bc251866b89ba64a35 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |