| SpectraBase Compound ID | 9Y7YFegKZ5Y |
|---|---|
| InChI | InChI=1S/C16H24O2/c1-5-14(13-10-8-7-9-11-13)16(17)18-15(6-2)12(3)4/h7-12,14-15H,5-6H2,1-4H3 |
| InChIKey | HDKNDEMKNGDJSO-UHFFFAOYSA-N |
| Mol Weight | 248.37 g/mol |
| Molecular Formula | C16H24O2 |
| Exact Mass | 248.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Iaqty2O91dx |
|---|---|
| Name | Butyric acid, 2-phenyl-, 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.177630011 u |
| Formula | C16H24O2 |
| InChI | InChI=1S/C16H24O2/c1-5-14(13-10-8-7-9-11-13)16(17)18-15(6-2)12(3)4/h7-12,14-15H,5-6H2,1-4H3 |
| InChIKey | HDKNDEMKNGDJSO-UHFFFAOYSA-N |
| Molecular Weight | 248.366 g/mol |
| SMILES | C(C(C(OC(CC)C(C)C)=O)C1=CC=CC=C1)C |