| SpectraBase Spectrum ID |
FWUczF0yfRP |
| Name |
Benzenepropanal, .alpha.-(4-methoxyphenyl)-2-nitro-.beta.-oxo- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.079372518 u |
| Formula |
C16H13NO5 |
| InChI |
InChI=1S/C16H13NO5/c1-22-12-8-6-11(7-9-12)14(10-18)16(19)13-4-2-3-5-15(13)17(20)21/h2-10,14H,1H3 |
| InChIKey |
BOTURVHPWZGERN-UHFFFAOYSA-N |
| Molecular Weight |
299.282 g/mol |
| SMILES |
C=1(N(=O)=O)C(C(C(C=2C=CC(=CC2)OC)C=O)=O)=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.90209 |
