For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Trans-3-[bis(2-chloroethyl)amino]-2',4',6'-trimethylacrylophenone

View entire compound with spectra: 2 NMR

Trans-3-[bis(2-chloroethyl)amino]-2',4',6'-trimethylacrylophenone
SpectraBase Compound ID CDF1l1rcA01
InChI InChI=1S/C16H21Cl2NO/c1-12-10-13(2)16(14(3)11-12)15(20)4-7-19(8-5-17)9-6-18/h4,7,10-11H,5-6,8-9H2,1-3H3/b7-4+
InChIKey JGEYAAFDQZXOQV-QPJJXVBHSA-N
Mol Weight 314.26 g/mol
Molecular Formula C16H21Cl2NO
Exact Mass 313.10002 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 8k9NhY5xfR
Name Trans-3-[bis(2-chloroethyl)amino]-2',4',6'-trimethylacrylophenone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.100019699 u
Formula C16H21Cl2NO
InChI InChI=1S/C16H21Cl2NO/c1-12-10-13(2)16(14(3)11-12)15(20)4-7-19(8-5-17)9-6-18/h4,7,10-11H,5-6,8-9H2,1-3H3/b7-4+
InChIKey JGEYAAFDQZXOQV-QPJJXVBHSA-N
Molecular Weight 314.256 g/mol
SMILES C1=C(C(=C(C=C1C)C)C(\C=C\N(CCCl)CCCl)=O)C