| SpectraBase Spectrum ID |
1prA1ums2o5 |
| Name |
(Z)-6-Acetoxy-4-methyl-6-phenyl-5-hexen-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.125594437 u |
| Formula |
C15H18O3 |
| InChI |
InChI=1S/C15H18O3/c1-11(9-12(2)16)10-15(18-13(3)17)14-7-5-4-6-8-14/h4-8,10-11H,9H2,1-3H3/b15-10- |
| InChIKey |
IJIDXUQNQASYOQ-GDNBJRDFSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
C=1C=C(C=CC1)\C(OC(=O)C)=C\C(CC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96388 |
