| SpectraBase Spectrum ID |
4q4OEFPRsdA |
| Name |
Trans-3-[bis(2-chloroethyl)amino]-4'-chloroacrylophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.014097174 u |
| Formula |
C13H14Cl3NO |
| InChI |
InChI=1S/C13H14Cl3NO/c14-6-9-17(10-7-15)8-5-13(18)11-1-3-12(16)4-2-11/h1-5,8H,6-7,9-10H2/b8-5+ |
| InChIKey |
XLDSRWXFVRHRQS-VMPITWQZSA-N |
| Molecular Weight |
306.620 g/mol |
| SMILES |
C=1C(=CC=C(C1)Cl)C(\C=C\N(CCCl)CCCl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.967606 |
![Trans-3-[bis(2-chloroethyl)amino]-4'-chloroacrylophenone](/api/spectrum/4q4OEFPRsdA/structure.png?h=300&w=458 "Trans-3-[bis(2-chloroethyl)amino]-4'-chloroacrylophenone")
