| SpectraBase Compound ID | Kk5ZwlT1lFq |
|---|---|
| InChI | InChI=1S/C16H17ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-14-5-4-13(17)10-12(14)3/h4-8,10H,9H2,1-3H3/b7-6+ |
| InChIKey | RNRAHPSTLIXVRC-VOTSOKGWSA-N |
| Mol Weight | 308.76 g/mol |
| Molecular Formula | C16H17ClO4 |
| Exact Mass | 308.081537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gTxKS5dbWj |
|---|---|
| Name | Fumaric acid, 4-chloro-2-methylphenyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.081536723 u |
| Formula | C16H17ClO4 |
| InChI | InChI=1S/C16H17ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-14-5-4-13(17)10-12(14)3/h4-8,10H,9H2,1-3H3/b7-6+ |
| InChIKey | RNRAHPSTLIXVRC-VOTSOKGWSA-N |
| SMILES | C(\C=C\C(OCC=C(C)C)=O)(OC=1C(C)=CC(=CC1)Cl)=O |