| SpectraBase Spectrum ID |
8Yj7Wg3hLjK |
| Name |
Succinic acid, 3-methylbut-2-yl trans-4-tert-butylcyclohexyl 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/c1-13(2)14(3)22-17(20)11-12-18(21)23-16-9-7-15(8-10-16)19(4,5)6/h13-16H,7-12H2,1-6H3 |
| InChIKey |
YRCWXOLGCPYLKU-UHFFFAOYSA-N |
| Molecular Weight |
326.477 g/mol |
| SMILES |
C(CC(OC(C(C)C)C)=O)C(OC1CCC(C(C)(C)C)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.890651 |
