| SpectraBase Spectrum ID |
IoxBxuhdzhA |
| Name |
Trans-3-[bis(2-chloroethyl)amino]-2',3',5',6'-tetramethylacrylophenone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.115669764 u |
| Formula |
C17H23Cl2NO |
| InChI |
InChI=1S/C17H23Cl2NO/c1-12-11-13(2)15(4)17(14(12)3)16(21)5-8-20(9-6-18)10-7-19/h5,8,11H,6-7,9-10H2,1-4H3/b8-5+ |
| InChIKey |
OQHMWJZISQTRIL-VMPITWQZSA-N |
| Molecular Weight |
328.283 g/mol |
| SMILES |
C=1(C)C(C)=CC(=C(C1C(=O)\C=C\N(CCCl)CCCl)C)C |
| Spectrum/Structure Validation Score (Raman) |
0.855254 |
![Trans-3-[bis(2-chloroethyl)amino]-2',3',5',6'-tetramethylacrylophenone](/api/spectrum/IoxBxuhdzhA/structure.png?h=300&w=458 "Trans-3-[bis(2-chloroethyl)amino]-2',3',5',6'-tetramethylacrylophenone")
