| SpectraBase Compound ID | FkeMCSkFH6V |
|---|---|
| InChI | InChI=1S/C13H16O3/c1-11(14)7-5-6-10-13(15)16-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3 |
| InChIKey | NTXHLCNEZRVTJK-UHFFFAOYSA-N |
| Mol Weight | 220.27 g/mol |
| Molecular Formula | C13H16O3 |
| Exact Mass | 220.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | L8QzlKqYmfr |
|---|---|
| Name | HEPTANOIC ACID, 6-OXO-, PHENYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C13H16O3 |
| InChI | InChI=1S/C13H16O3/c1-11(14)7-5-6-10-13(15)16-12-8-3-2-4-9-12/h2-4,8-9H,5-7,10H2,1H3 |
| InChIKey | NTXHLCNEZRVTJK-UHFFFAOYSA-N |
| Instrument Name | 311A |
| Molecular Weight | 220.1095 |
| SMILES | c1cccc(OC(CCCCC(C)=O)=O)c1 |
| SPLASH | splash10-0006-9300000000-bc0eca8ce60399ebdd6b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |