| SpectraBase Spectrum ID |
Arbp35JbArn |
| Name |
Succinic acid, 4-chloro-3-methylphenyl cis-hex-2-en-1-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.112836852 u |
| Formula |
C17H21ClO4 |
| InChI |
InChI=1S/C17H21ClO4/c1-3-4-5-6-11-21-16(19)9-10-17(20)22-14-7-8-15(18)13(2)12-14/h5-8,12H,3-4,9-11H2,1-2H3/b6-5- |
| InChIKey |
OXTWTKHDIFJUKC-WAYWQWQTSA-N |
| Molecular Weight |
324.804 g/mol |
| SMILES |
C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OC\C=C/CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925755 |
