| SpectraBase Spectrum ID |
2IcaYNo46Ue |
| Name |
Carbonic acid, methyl ester, diester with 3,4-dihydroxycinnamoyl chloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.019330387 u |
| Formula |
C13H11ClO7 |
| InChI |
InChI=1S/C13H11ClO7/c1-18-12(16)20-9-5-3-8(4-6-11(14)15)7-10(9)21-13(17)19-2/h3-7H,1-2H3/b6-4+ |
| InChIKey |
PBCGMZIENLJXSI-GQCTYLIASA-N |
| Molecular Weight |
314.677 g/mol |
| SMILES |
C(OC1=C(OC(OC)=O)C=CC(=C1)\C=C\C(Cl)=O)(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955474 |
