| SpectraBase Compound ID | IykbdCOo3Sg |
|---|---|
| InChI | InChI=1S/C17H22O5/c1-5-13(12(2)3)21-16(18)10-11-17(19)22-15-9-7-6-8-14(15)20-4/h6-13H,5H2,1-4H3/b11-10+ |
| InChIKey | RJFOZJKPZIFEEV-ZHACJKMWSA-N |
| Mol Weight | 306.36 g/mol |
| Molecular Formula | C17H22O5 |
| Exact Mass | 306.146724 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LdVwn0iapGh |
|---|---|
| Name | Fumaric acid, 2-methoxyphenyl 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.146723803 u |
| Formula | C17H22O5 |
| InChI | InChI=1S/C17H22O5/c1-5-13(12(2)3)21-16(18)10-11-17(19)22-15-9-7-6-8-14(15)20-4/h6-13H,5H2,1-4H3/b11-10+ |
| InChIKey | RJFOZJKPZIFEEV-ZHACJKMWSA-N |
| Molecular Weight | 306.358 g/mol |
| SMILES | C(\C=C\C(OC(CC)C(C)C)=O)(OC1=C(OC)C=CC=C1)=O |