| SpectraBase Spectrum ID |
GFxSEff1mTv |
| Name |
5-Acetoxy-1-phenyl-6-hepten-1-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/c1-3-14(18-12(2)16)10-7-11-15(17)13-8-5-4-6-9-13/h3-6,8-9,14H,1,7,10-11H2,2H3 |
| InChIKey |
PZIFBWSZTWWDIL-UHFFFAOYSA-N |
| Molecular Weight |
246.306 g/mol |
| SMILES |
C(=O)(OC(C=C)CCCC(=O)C=1C=CC=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958854 |
