| SpectraBase Spectrum ID |
F8gmm1fKgsv |
| Name |
Trans-3-[bis(2-chloroethyl)amino]-2',4'-dimethylacrylophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.084369635 u |
| Formula |
C15H19Cl2NO |
| InChI |
InChI=1S/C15H19Cl2NO/c1-12-3-4-14(13(2)11-12)15(19)5-8-18(9-6-16)10-7-17/h3-5,8,11H,6-7,9-10H2,1-2H3/b8-5+ |
| InChIKey |
NQDNNSMAGQXAKA-VMPITWQZSA-N |
| Molecular Weight |
300.229 g/mol |
| SMILES |
C=1C=C(C(=CC1C)C)C(\C=C\N(CCCl)CCCl)=O |
| Spectrum/Structure Validation Score (Raman) |
0.941937 |
![Trans-3-[bis(2-chloroethyl)amino]-2',4'-dimethylacrylophenone](/api/spectrum/F8gmm1fKgsv/structure.png?h=300&w=458 "Trans-3-[bis(2-chloroethyl)amino]-2',4'-dimethylacrylophenone")
