| SpectraBase Spectrum ID |
1Gt2f7JLvyG |
| Name |
1,4-Naphthalenedione, 5-methoxy-2,3-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
216.078644243 u |
| Formula |
C13H12O3 |
| InChI |
InChI=1S/C13H12O3/c1-7-8(2)13(15)11-9(12(7)14)5-4-6-10(11)16-3/h4-6H,1-3H3 |
| InChIKey |
QEJJTFXMRMVFNZ-UHFFFAOYSA-N |
| Molecular Weight |
216.236 g/mol |
| SMILES |
C1(C(=C(C)C(C2=C1C(OC)=CC=C2)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.904567 |
