| SpectraBase Compound ID | 7E8XCsV0Gy2 |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-4-10(3)14-12(13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | AYASXGIVXFMQBW-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 | K8A5R53D43W |
|---|---|
| Name | BENZOIC ACID, 4-METHYL-, 1-METHYLPROPYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-4-10(3)14-12(13)11-7-5-9(2)6-8-11/h5-8,10H,4H2,1-3H3 |
| InChIKey | AYASXGIVXFMQBW-UHFFFAOYSA-N |
| Molecular Weight | 192.1146 |
| SMILES | Cc1ccc(C(OC(C)CC)=O)cc1 |
| SPLASH | splash10-014r-9800000000-31d8b28fb15971603b91 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |