| SpectraBase Spectrum ID |
1yjELIPA2Sj |
| Name |
Succinic acid, 2-(adamant-1-yl)ethyl 8-chlorooctyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
426.253687432 u |
| Formula |
C24H39ClO4 |
| InChI |
InChI=1S/C24H39ClO4/c25-10-5-3-1-2-4-6-11-28-22(26)7-8-23(27)29-12-9-24-16-19-13-20(17-24)15-21(14-19)18-24/h19-21H,1-18H2/t19-,20+,21-,24+ |
| InChIKey |
UBOOLNSNYCMHKP-SNUACVQDSA-N |
| Molecular Weight |
427.025 g/mol |
| SMILES |
C(CC(OCCCCCCCCCl)=O)C(OCCC12C[C@]3(C[C@](C[C@](C3)(C1)[H])(C2)[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918011 |
