| SpectraBase Spectrum ID |
4f13s87cY0D |
| Name |
2-Methoxy-5-(3',4'-methylenedioxyphenyl)cyclohepta-2,4,6-trien-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.073558862 u |
| Formula |
C15H12O4 |
| InChI |
InChI=1S/C15H12O4/c1-17-13-6-3-10(2-5-12(13)16)11-4-7-14-15(8-11)19-9-18-14/h2-8H,9H2,1H3 |
| InChIKey |
POISPALLWBHUJN-UHFFFAOYSA-N |
| Molecular Weight |
256.257 g/mol |
| SMILES |
C1(=CC=C(OC)C(C=C1)=O)C=1C=C2C(OCO2)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964548 |
