SpectraBase Spectrum ID |
BCTEvLANq78 |
Name |
2-Hydroxy-alpha-(p-methoxybenzylidene)-5-methylacetophenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
268.109944372 u |
Formula |
C17H16O3 |
InChI |
InChI=1S/C17H16O3/c1-12-3-9-16(18)15(11-12)17(19)10-6-13-4-7-14(20-2)8-5-13/h3-11,18H,1-2H3/b10-6+ |
InChIKey |
SPPILPVAQGFXJM-UXBLZVDNSA-N |
Molecular Weight |
268.312 g/mol |
SMILES |
C1(=C(C=CC(=C1)C)O)C(\C=C\C1=CC=C(C=C1)OC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931973 |