| SpectraBase Spectrum ID |
AJrq14NXk4z |
| Name |
Succinic acid, cyclohexylmethyl 2,4,4-trimethylpentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
326.245709571 u |
| Formula |
C19H34O4 |
| InChI |
InChI=1S/C19H34O4/c1-15(12-19(2,3)4)13-22-17(20)10-11-18(21)23-14-16-8-6-5-7-9-16/h15-16H,5-14H2,1-4H3 |
| InChIKey |
BZYMIMLJHQJTOF-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CC(OCC1CCCCC1)=O)C(OCC(C)CC(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951279 |
