| SpectraBase Compound ID | 3J5dZz0xx8d |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | UYGHRCCJWWYXMY-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 | 6zk2nuLpRaM |
|---|---|
| Name | BENZOIC ACID, 4-METHYL-, BUTYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-3-4-9-14-12(13)11-7-5-10(2)6-8-11/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | UYGHRCCJWWYXMY-UHFFFAOYSA-N |
| Molecular Weight | 192.1146 |
| SMILES | Cc1ccc(C(OCCCC)=O)cc1 |
| SPLASH | splash10-00kr-4900000000-f05c536a380b1707237b |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |