| SpectraBase Compound ID | AF0mC9YBRpp |
|---|---|
| InChI | InChI=1S/C18H26O4/c1-2-3-4-5-9-14-21-17(19)12-13-18(20)22-15-16-10-7-6-8-11-16/h6-8,10-11H,2-5,9,12-15H2,1H3 |
| InChIKey | FUJUROXWLMHXBQ-UHFFFAOYSA-N |
| Mol Weight | 306.4 g/mol |
| Molecular Formula | C18H26O4 |
| Exact Mass | 306.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | aQKyi5Wd6L |
|---|---|
| Name | Butanedioic acid, heptyl phenylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.183109313 u |
| Formula | C18H26O4 |
| InChI | InChI=1S/C18H26O4/c1-2-3-4-5-9-14-21-17(19)12-13-18(20)22-15-16-10-7-6-8-11-16/h6-8,10-11H,2-5,9,12-15H2,1H3 |
| InChIKey | FUJUROXWLMHXBQ-UHFFFAOYSA-N |
| Molecular Weight | 306.402 g/mol |
| SMILES | C1=C(C=CC=C1)COC(=O)CCC(OCCCCCCC)=O |