| SpectraBase Spectrum ID |
Jf2lOo1TUGs |
| Name |
1-Adamantanecarboxylic acid, 2-chlorophenyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.107357550 u |
| Formula |
C17H19ClO2 |
| InChI |
InChI=1S/C17H19ClO2/c18-14-3-1-2-4-15(14)20-16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17- |
| InChIKey |
ZLRQBHYRAFMETQ-FBBPANFNSA-N |
| SMILES |
C1(=CC=CC=C1Cl)OC(=O)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.918314 |
