| SpectraBase Spectrum ID |
GqA1PEJ75ii |
| Name |
(E)-1-(2-(3,4,5-Trimethoxybenzylidene)cyclopropyl)-2-phenylethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
338.151809184 u |
| Formula |
C21H22O4 |
| InChI |
InChI=1S/C21H22O4/c1-23-19-11-15(12-20(24-2)21(19)25-3)9-16-13-17(16)18(22)10-14-7-5-4-6-8-14/h4-9,11-12,17H,10,13H2,1-3H3/b16-9+ |
| InChIKey |
XLCKSJFDLMDLDK-CXUHLZMHSA-N |
| Molecular Weight |
338.403 g/mol |
| SMILES |
C1(\C(C1)=C\C=1C=C(OC)C(=C(C1)OC)OC)C(CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821407 |
