| SpectraBase Compound ID | IUSIqbUxESn |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | XVRCVKWYKYJEIG-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EX2UggwB5sr |
|---|---|
| Name | BENZENEBUTANOIC ACID, gamma-OXO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-14-11(13)8-7-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3 |
| InChIKey | XVRCVKWYKYJEIG-UHFFFAOYSA-N |
| Molecular Weight | 192.0783 |
| SMILES | c1cc(C(CCC(OC)=O)=O)ccc1 |
| SPLASH | splash10-0a4i-7900000000-a56fdaed81cd27396ca1 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |