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trans-3-[bis(2-chloroethyl)amino]-4'-chloroacrylophenone
SpectraBase Compound ID HqBQfAxEfEr
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
Mol Weight 306.62 g/mol
Molecular Formula C13H14Cl3NO
Exact Mass 305.014097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jvZuMyKkie
Name (2E)-3-[Bis(2-chloroethyl)amino]-1-(4-chlorophenyl)-2-propen-1-one
Alternate Name(s) (E)-3-[bis(2-chloroethyl)amino]-1-(4-chlorophenyl)-2-propen-1-one (E)-3-[bis(2-chloroethyl)amino]-1-(4-chlorophenyl)prop-2-en-1-one 2-Propen-1-one, 3-(bis(2-chloroethyl)amino)-1-(4-chlorophenyl)- 3-[bis(2-chloroethyl)amino]-1-(4-chlorophenyl)-2-propen-1-one Propenone, 3-di(2-chloroethylamino)-1-(4-chlorophenyl)-
CAS Registry Number 20266-88-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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(\C=C\N(CCCl)CCCl)(c1ccc(cc1)Cl)=O
SPLASH splash10-00dr-6960000000-bad51fa1b3e499b7cec6
Source of Spectrum AD-0-2532-0
Wiley ID 1432407