| SpectraBase Spectrum ID |
1xDjYi4Utba |
| Name |
Methyl(E)-2-o-carbomethoxyphenyl-3-(p-chlorophenyl)-prop-2-enoate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.065886659 u |
| Formula |
C18H15ClO4 |
| InChI |
InChI=1S/C18H15ClO4/c1-22-17(20)15-6-4-3-5-14(15)16(18(21)23-2)11-12-7-9-13(19)10-8-12/h3-11H,1-2H3/b16-11+ |
| InChIKey |
RSGDVYMGNFEHKC-LFIBNONCSA-N |
| Molecular Weight |
330.767 g/mol |
| SMILES |
C(\C(=C\C=1C=CC(=CC1)Cl)C=1C(=CC=CC1)C(=O)OC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917846 |
