| SpectraBase Compound ID | LGLYxuAKiW3 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3 |
| InChIKey | GVUYTZKKCMNYGB-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LWuz4IbB7Yf |
|---|---|
| Name | Butanedioic acid, pentyl phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.151809184 u |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-2-3-7-12-19-15(17)10-11-16(18)20-13-14-8-5-4-6-9-14/h4-6,8-9H,2-3,7,10-13H2,1H3 |
| InChIKey | GVUYTZKKCMNYGB-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=CC=C(C=C1)COC(CCC(OCCCCC)=O)=O |