| SpectraBase Spectrum ID |
CwOt1DMy56V |
| Name |
4-Butylbenzoic acid, 3-chloroprop-2-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.091707485 u |
| Formula |
C14H17ClO2 |
| InChI |
InChI=1S/C14H17ClO2/c1-2-3-5-12-6-8-13(9-7-12)14(16)17-11-4-10-15/h4,6-10H,2-3,5,11H2,1H3/b10-4+ |
| InChIKey |
FDTZLBPFIUPWST-ONNFQVAWSA-N |
| Molecular Weight |
252.741 g/mol |
| SMILES |
C(=O)(OC\C=C\Cl)C1=CC=C(CCCC)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867273 |
