| SpectraBase Spectrum ID |
568kSzruvMS |
| Name |
1,3-Hexanedione, 1-(3,4-dimethoxyphenyl)-6-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
295.105587265 u |
| Formula |
C14H17NO6 |
| InChI |
InChI=1S/C14H17NO6/c1-20-13-6-5-10(8-14(13)21-2)12(17)9-11(16)4-3-7-15(18)19/h5-6,8H,3-4,7,9H2,1-2H3 |
| InChIKey |
SLDBNDNVZSCMRI-UHFFFAOYSA-N |
| Molecular Weight |
295.291 g/mol |
| SMILES |
C(N(=O)=O)CCC(CC(C=1C=C(OC)C(=CC1)OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916817 |
