| SpectraBase Spectrum ID |
KqO6kZ1nlCL |
| Name |
Succinic acid, 3-methylbut-2-yl (2-chlorocyclohexyl)methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.159787045 u |
| Formula |
C16H27ClO4 |
| InChI |
InChI=1S/C16H27ClO4/c1-11(2)12(3)21-16(19)9-8-15(18)20-10-13-6-4-5-7-14(13)17/h11-14H,4-10H2,1-3H3 |
| InChIKey |
ZCGQEJODSGNIFP-UHFFFAOYSA-N |
| Molecular Weight |
318.841 g/mol |
| SMILES |
C(CC(OC(C(C)C)C)=O)C(OCC1CCCCC1Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.932198 |
