| SpectraBase Compound ID | 8F4C4tzjcu7 |
|---|---|
| InChI | InChI=1S/C15H18O3/c1-12(16)15(10-6-3-7-11-15)18-14(17)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3 |
| InChIKey | SXXIZYCQTWMXOR-UHFFFAOYSA-N |
| Mol Weight | 246.31 g/mol |
| Molecular Formula | C15H18O3 |
| Exact Mass | 246.125594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Gt2L6mFJULb |
|---|---|
| Name | Benzoic acid 1-acetyl-cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 246.125594437 u |
| Formula | C15H18O3 |
| InChI | InChI=1S/C15H18O3/c1-12(16)15(10-6-3-7-11-15)18-14(17)13-8-4-2-5-9-13/h2,4-5,8-9H,3,6-7,10-11H2,1H3 |
| InChIKey | SXXIZYCQTWMXOR-UHFFFAOYSA-N |
| Molecular Weight | 246.306 g/mol |
| SMILES | C(C=1C=CC=CC1)(=O)OC1(CCCCC1)C(=O)C |