| SpectraBase Spectrum ID |
3NVC1uewNvT |
| Name |
6-Dichloromethyl-2-hydroxy-4-methoxy-3-propyl-benzoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
306.042564391 u |
| Formula |
C13H16Cl2O4 |
| InChI |
InChI=1S/C13H16Cl2O4/c1-4-5-7-9(18-2)6-8(12(14)15)10(11(7)16)13(17)19-3/h6,12,16H,4-5H2,1-3H3 |
| InChIKey |
YAZQSPXMVTXRFR-UHFFFAOYSA-N |
| Molecular Weight |
307.173 g/mol |
| SMILES |
C1(=C(C=C(C(=C1O)CCC)OC)C(Cl)Cl)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936101 |
