| SpectraBase Spectrum ID |
HWaDGo1OWGd |
| Name |
2,3-Dimethoxy-5-(phenylmethyl)cyclohexa-2,5-diene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.089208927 u |
| Formula |
C15H14O4 |
| InChI |
InChI=1S/C15H14O4/c1-18-14-12(16)9-11(13(17)15(14)19-2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3 |
| InChIKey |
LMRJKMLHIDEOQP-UHFFFAOYSA-N |
| Molecular Weight |
258.273 g/mol |
| SMILES |
C1(=C(C(=O)C=C(C1=O)CC=1C=CC=CC1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939675 |
