| SpectraBase Compound ID | HV408Xa1XqB |
|---|---|
| InChI | InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey | IELVQABKIBOBRG-UHFFFAOYSA-N |
| Mol Weight | 192.26 g/mol |
| Molecular Formula | C12H16O2 |
| Exact Mass | 192.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LP56Okc4XjW |
|---|---|
| Name | Benzoic acid, 4-methyl-, 2-methylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.115029753 u |
| Formula | C12H16O2 |
| InChI | InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3 |
| InChIKey | IELVQABKIBOBRG-UHFFFAOYSA-N |
| Molecular Weight | 192.258 g/mol |
| SMILES | C(OC(C=1C=CC(=CC1)C)=O)C(C)C |