| SpectraBase Spectrum ID |
7XLJrmVx0eu |
| Name |
Glutaric acid, 2-(adamant-1-yl)ethyl cyclohexylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
390.277009700 u |
| Formula |
C24H38O4 |
| InChI |
InChI=1S/C24H38O4/c25-22(7-4-8-23(26)28-17-18-5-2-1-3-6-18)27-10-9-24-14-19-11-20(15-24)13-21(12-19)16-24/h18-21H,1-17H2/t19-,20+,21-,24+ |
| InChIKey |
CDHNNAUVDMDIQF-SNUACVQDSA-N |
| Molecular Weight |
390.564 g/mol |
| SMILES |
C(CCC(OCC1CCCCC1)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.957439 |
