| SpectraBase Spectrum ID |
4EcsTBIN3JT |
| Name |
1-(Benzo[D][1,3]dioxol-6-yl)-3-nitro-2-p-tolylpropan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.095022582 u |
| Formula |
C17H15NO5 |
| InChI |
InChI=1S/C17H15NO5/c1-11-2-4-12(5-3-11)14(9-18(20)21)17(19)13-6-7-15-16(8-13)23-10-22-15/h2-8,14H,9-10H2,1H3 |
| InChIKey |
LZYNMIHHCOPCTP-UHFFFAOYSA-N |
| Molecular Weight |
313.309 g/mol |
| SMILES |
C(N(=O)=O)C(C(C=1C=C2OCOC2=CC1)=O)C=1C=CC(=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.928367 |
![1-(Benzo[d][1,3]dioxol-6-yl)-3-nitro-2-p-tolylpropan-1-one](/api/spectrum/4EcsTBIN3JT/structure.png?h=300&w=458 "1-(Benzo[d][1,3]dioxol-6-yl)-3-nitro-2-p-tolylpropan-1-one")
