| SpectraBase Spectrum ID |
HrvOl5pzxb2 |
| Name |
Succinic acid, 4-chloro-2-methylbenzyl isobutyl 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/c1-11(2)9-20-15(18)6-7-16(19)21-10-13-4-5-14(17)8-12(13)3/h4-5,8,11H,6-7,9-10H2,1-3H3 |
| InChIKey |
HBOAPSJXKWSMJI-UHFFFAOYSA-N |
| Molecular Weight |
312.793 g/mol |
| SMILES |
C1(=CC=C(C(=C1)C)COC(=O)CCC(OCC(C)C)=O)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956685 |
