| SpectraBase Spectrum ID |
F8qXzpk9jAQ |
| Name |
(1S*,2R*)-Methyl(1-methyl-2-phenylcycloprop-1-yl)ketone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
174.104465070 u |
| Formula |
C12H14O |
| InChI |
InChI=1S/C12H14O/c1-9(13)12(2)8-11(12)10-6-4-3-5-7-10/h3-7,11H,8H2,1-2H3/t11-,12-/m1/s1 |
| InChIKey |
CDXAMXPNWTTWBK-VXGBXAGGSA-N |
| Molecular Weight |
174.243 g/mol |
| SMILES |
C([C@@]1([C@](C1)(C1=CC=CC=C1)[H])C)(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.961622 |
