| SpectraBase Compound ID | 1hFAgOZCJzv |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey | DYQMBZWQOFZUJJ-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9uLN6yrgNv3 |
|---|---|
| Name | PENTANOIC ACID, 3-PHENYL-, METHYL ESTER |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-3-10(9-12(13)14-2)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3 |
| InChIKey | DYQMBZWQOFZUJJ-UHFFFAOYSA-N |
| Molecular Weight | 192.1146 |
| SMILES | c1(C(CC(OC)=O)CC)ccccc1 |
| SPLASH | splash10-01bc-3900000000-d6ac8c11946c64ded7cb |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |