| SpectraBase Spectrum ID |
CoT3KQEvK5g |
| Name |
(-)-(S,E)-5-phenylhex-3-en-2-one |
| 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/c1-10(8-9-11(2)13)12-6-4-3-5-7-12/h3-10H,1-2H3/b9-8+/t10-/m0/s1 |
| InChIKey |
ALFALFNFEGCXJO-DDXVTDLHSA-N |
| Molecular Weight |
174.243 g/mol |
| SMILES |
C(\C=C\[C@@](C=1C=CC=CC1)(C)[H])(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.850519 |
