| SpectraBase Compound ID | FwhGZBHt5aQ |
|---|---|
| InChI | InChI=1S/C17H22O4/c1-13(2)7-6-12-20-16(18)10-11-17(19)21-15-9-5-4-8-14(15)3/h4-5,8-11,13H,6-7,12H2,1-3H3/b11-10+ |
| InChIKey | YHXDUQGBCBSNSP-ZHACJKMWSA-N |
| Mol Weight | 290.36 g/mol |
| Molecular Formula | C17H22O4 |
| Exact Mass | 290.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EbvXCXnaylb |
|---|---|
| Name | Fumaric acid, isohexyl 2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.151809184 u |
| Formula | C17H22O4 |
| InChI | InChI=1S/C17H22O4/c1-13(2)7-6-12-20-16(18)10-11-17(19)21-15-9-5-4-8-14(15)3/h4-5,8-11,13H,6-7,12H2,1-3H3/b11-10+ |
| InChIKey | YHXDUQGBCBSNSP-ZHACJKMWSA-N |
| SMILES | CC(C)CCCOC(\C=C\C(OC1=CC=CC=C1C)=O)=O |