| SpectraBase Spectrum ID |
DVKse8JWasc |
| Name |
Succinic acid, 2-chlorophenyl 3-pentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
298.097186788 u |
| Formula |
C15H19ClO4 |
| InChI |
InChI=1S/C15H19ClO4/c1-3-11(4-2)19-14(17)9-10-15(18)20-13-8-6-5-7-12(13)16/h5-8,11H,3-4,9-10H2,1-2H3 |
| InChIKey |
WVDNOXMLJFUUOF-UHFFFAOYSA-N |
| SMILES |
C1=CC(Cl)=C(C=C1)OC(=O)CCC(OC(CC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.817027 |
