| SpectraBase Spectrum ID |
1uoj6JJZxo2 |
| Name |
Aniline, N,N-bis(2-chloroethyl)-m-nitro- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
262.027583032 u |
| Formula |
C10H12Cl2N2O2 |
| InChI |
InChI=1S/C10H12Cl2N2O2/c11-4-6-13(7-5-12)9-2-1-3-10(8-9)14(15)16/h1-3,8H,4-7H2 |
| InChIKey |
YGMKECHJXDTTCK-UHFFFAOYSA-N |
| Molecular Weight |
263.124 g/mol |
| SMILES |
C1(N(=O)=O)=CC(N(CCCl)CCCl)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853445 |
