| SpectraBase Spectrum ID |
GMV7ZsZNz5r |
| Name |
Succinic acid, 3-methylbut-2-yl 4-chlorobenzyl 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)12(3)21-16(19)9-8-15(18)20-10-13-4-6-14(17)7-5-13/h4-7,11-12H,8-10H2,1-3H3 |
| InChIKey |
SIQKSKIHIRLLNF-UHFFFAOYSA-N |
| Molecular Weight |
312.793 g/mol |
| SMILES |
C(CC(OC(C(C)C)C)=O)C(OCC1=CC=C(C=C1)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.809172 |
