| SpectraBase Compound ID | 4rHjD7utWpd |
|---|---|
| InChI | InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3 |
| InChIKey | VBTAKMZSMFMLGT-UHFFFAOYSA-N |
| Mol Weight | 206.28 g/mol |
| Molecular Formula | C13H18O2 |
| Exact Mass | 206.13068 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1gsnYqLLxJs |
|---|---|
| Name | ISOBUTYRIC ACID, 3-PHENYLPROPYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C13H18O2 |
| InChI | InChI=1S/C13H18O2/c1-11(2)13(14)15-10-6-9-12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3 |
| InChIKey | VBTAKMZSMFMLGT-UHFFFAOYSA-N |
| Molecular Weight | 206.1302 |
| SMILES | c1(CCCOC(C(C)C)=O)ccccc1 |
| SPLASH | splash10-014i-4900000000-6e556e2a0b840ab4bb6d |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |