| SpectraBase Compound ID | 6KTBaKCOBzS |
|---|---|
| InChI | InChI=1S/C17H24O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3 |
| InChIKey | IROBBPAWTAUBOK-UHFFFAOYSA-N |
| Mol Weight | 292.38 g/mol |
| Molecular Formula | C17H24O4 |
| Exact Mass | 292.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1Zn1ssKnnL5 |
|---|---|
| Name | Butanedioic acid, hexyl phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.167459249 u |
| Formula | C17H24O4 |
| InChI | InChI=1S/C17H24O4/c1-2-3-4-8-13-20-16(18)11-12-17(19)21-14-15-9-6-5-7-10-15/h5-7,9-10H,2-4,8,11-14H2,1H3 |
| InChIKey | IROBBPAWTAUBOK-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC=C1)COC(CCC(=O)OCCCCCC)=O |