| SpectraBase Compound ID | JUu1fNVIrrF |
|---|---|
| InChI | InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | YLHXLHGIAMFFBU-UHFFFAOYSA-N |
| Mol Weight | 164.16 g/mol |
| Molecular Formula | C9H8O3 |
| Exact Mass | 164.047344 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9bESW6mPLgS |
|---|---|
| Name | BENZENEACETIC ACID, alpha-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C9H8O3 |
| InChI | InChI=1S/C9H8O3/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6H,1H3 |
| InChIKey | YLHXLHGIAMFFBU-UHFFFAOYSA-N |
| Molecular Weight | 164.0471 |
| SMILES | c1cccc(C(C(OC)=O)=O)c1 |
| SPLASH | splash10-0a6r-9700000000-542efece00ce3ee7a9f4 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |