| SpectraBase Spectrum ID |
5RqnRbCv6r1 |
| Name |
Succinic acid, 4-chloro-3-methylphenyl 2-methylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
312.112836852 u |
| Formula |
C16H21ClO4 |
| InChI |
InChI=1S/C16H21ClO4/c1-4-11(2)10-20-15(18)7-8-16(19)21-13-5-6-14(17)12(3)9-13/h5-6,9,11H,4,7-8,10H2,1-3H3 |
| InChIKey |
DRCDLQHROBEQOF-UHFFFAOYSA-N |
| Molecular Weight |
312.793 g/mol |
| SMILES |
C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933036 |
