| SpectraBase Spectrum ID |
CfQwByF7SJF |
| Name |
Succinic acid, 2-(adamant-1-yl)ethyl 2-methylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.261359635 u |
| Formula |
C22H36O4 |
| InChI |
InChI=1S/C22H36O4/c1-4-19(15(2)3)26-21(24)6-5-20(23)25-8-7-22-12-16-9-17(13-22)11-18(10-16)14-22/h15-19H,4-14H2,1-3H3/t16-,17+,18-,19?,22+ |
| InChIKey |
KVCUBKXGUVFADQ-STJUPPKHSA-N |
| Molecular Weight |
364.526 g/mol |
| SMILES |
C(CC(OC(CC)C(C)C)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931898 |
