| SpectraBase Spectrum ID |
DM58fK5iYKg |
| Name |
1-(Phenylmethoxy)-2-(3-(1-oxopropyl)-3,5-cycloheptadiene |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.146329882 u |
| Formula |
C17H20O2 |
| InChI |
InChI=1S/C17H20O2/c1-2-16(18)15-11-7-4-8-12-17(15)19-13-14-9-5-3-6-10-14/h3-11,15,17H,2,12-13H2,1H3 |
| InChIKey |
SQEKLHOKTNSBKE-UHFFFAOYSA-N |
| Molecular Weight |
256.345 g/mol |
| SMILES |
C1(C(=O)CC)C=CC=CCC1OCC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96139 |
