| SpectraBase Spectrum ID |
6dWyFNX9wYV |
| Name |
Succinic acid, 4-chloro-3-methylphenyl tetrahydrofurfuryl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.092101407 u |
| Formula |
C16H19ClO5 |
| InChI |
InChI=1S/C16H19ClO5/c1-11-9-12(4-5-14(11)17)22-16(19)7-6-15(18)21-10-13-3-2-8-20-13/h4-5,9,13H,2-3,6-8,10H2,1H3 |
| InChIKey |
KNGJOBUHBAKVSN-UHFFFAOYSA-N |
| Molecular Weight |
326.776 g/mol |
| SMILES |
C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCC1OCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958555 |
