| SpectraBase Spectrum ID |
L1UGCby3kB3 |
| Name |
[1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl][(3-nitrophenyl)methyl]amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.126657064 u |
| Formula |
C17H18N2O4 |
| InChI |
InChI=1S/C17H18N2O4/c1-12(17-11-22-15-7-2-3-8-16(15)23-17)18-10-13-5-4-6-14(9-13)19(20)21/h2-9,12,17-18H,10-11H2,1H3 |
| InChIKey |
WTVGZZNFMMZVQM-UHFFFAOYSA-N |
| Molecular Weight |
314.341 g/mol |
| SMILES |
C1=CC2=C(OC(C(C)NCC=3C=C(N(=O)=O)C=CC3)CO2)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959007 |
![[1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl][(3-nitrophenyl)methyl]amine](/api/spectrum/L1UGCby3kB3/structure.png?h=300&w=458 "[1-(2,3-Dihydro-1,4-benzodioxin-2-yl)ethyl][(3-nitrophenyl)methyl]amine")
