| SpectraBase Spectrum ID |
763f1fnulql |
| Name |
1-Hydroxymethyl-3,4-methylenedioxy-2'-nitro-biphenyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
273.063722453 u |
| Formula |
C14H11NO5 |
| InChI |
InChI=1S/C14H11NO5/c16-7-9-5-13-14(20-8-19-13)6-11(9)10-3-1-2-4-12(10)15(17)18/h1-6,16H,7-8H2 |
| InChIKey |
AIALWSNWGJYWRU-UHFFFAOYSA-N |
| Molecular Weight |
273.244 g/mol |
| SMILES |
C1(=CC2=C(C=C1C1=C(C=CC=C1)N(=O)=O)OCO2)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927708 |
