| SpectraBase Spectrum ID |
A1Avy30swvi |
| Name |
1-(Adamantan-1-yl)-2-chloroethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.096792866 u |
| Formula |
C12H17ClO |
| InChI |
InChI=1S/C12H17ClO/c13-7-11(14)12-4-8-1-9(5-12)3-10(2-8)6-12/h8-10H,1-7H2/t8-,9+,10-,12- |
| InChIKey |
LOCZPXWXTBYAPF-GOCCLTDMSA-N |
| Molecular Weight |
212.720 g/mol |
| SMILES |
[C@]12(C[C@@]3(C[C@](C2)(CC(C1)(C(CCl)=O)C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.838294 |
