| SpectraBase Spectrum ID |
Lg0QBnceN57 |
| Name |
Adamantan-1-yl(4-chlorophenyl)methanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
274.112442931 u |
| Formula |
C17H19ClO |
| InChI |
InChI=1S/C17H19ClO/c18-15-3-1-14(2-4-15)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 |
QXVTWPDSJUEKLJ-FBBPANFNSA-N |
| Molecular Weight |
274.791 g/mol |
| SMILES |
C1[C@]2(C[C@@]3(CC(C(C4=CC=C(C=C4)Cl)=O)(C2)C[C@]1(C3)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921631 |
