| SpectraBase Spectrum ID |
CHGXwvl8IeC |
| Name |
Succinic acid, 2-chloro-6-fluorophenyl adamant-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.119065047 u |
| Formula |
C20H22ClFO4 |
| InChI |
InChI=1S/C20H22ClFO4/c21-15-2-1-3-16(22)20(15)26-18(24)5-4-17(23)25-19-13-7-11-6-12(9-13)10-14(19)8-11/h1-3,11-14,19H,4-10H2/t11-,12+,13-,14+,19? |
| InChIKey |
JBWAFCHEPBJEMM-SUKVGQHKSA-N |
| Molecular Weight |
380.843 g/mol |
| SMILES |
C(CC(OC1=C(C=CC=C1F)Cl)=O)C(OC1[C@]2(C[C@@]3(C[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.841239 |
