| SpectraBase Compound ID | 9ibyONZMvaq |
|---|---|
| InChI | InChI=1S/C15H20O4/c1-2-3-11-18-14(16)9-10-15(17)19-12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3 |
| InChIKey | SISDVYCKRJTJHA-UHFFFAOYSA-N |
| Mol Weight | 264.32 g/mol |
| Molecular Formula | C15H20O4 |
| Exact Mass | 264.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2BqAEVQyUbR |
|---|---|
| Name | Butanedioic acid, butyl phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.136159120 u |
| Formula | C15H20O4 |
| InChI | InChI=1S/C15H20O4/c1-2-3-11-18-14(16)9-10-15(17)19-12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3 |
| InChIKey | SISDVYCKRJTJHA-UHFFFAOYSA-N |
| Molecular Weight | 264.321 g/mol |
| SMILES | C1=C(C=CC=C1)COC(=O)CCC(OCCCC)=O |