| SpectraBase Spectrum ID |
KE8hnBIFtXZ |
| Name |
Succinic acid, isobutyl 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 |
312.230059506 u |
| Formula |
C18H32O4 |
| InChI |
InChI=1S/C18H32O4/c1-13(2)12-21-16(19)10-11-17(20)22-15-8-6-14(7-9-15)18(3,4)5/h13-15H,6-12H2,1-5H3 |
| InChIKey |
PLBPCRYZRSHQIH-UHFFFAOYSA-N |
| Molecular Weight |
312.450 g/mol |
| SMILES |
CC(C)COC(CCC(OC1CCC(CC1)C(C)(C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888613 |
