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4-{(3"',3"'-Dimethylacryloyl)[2'-(3''-indolyl)ethyl]amino}-1,1,1-trichloro-3-buten-2-one
SpectraBase Compound ID HLywkb1oflE
InChI InChI=1S/C19H19Cl3N2O2/c1-13(2)11-18(26)24(10-8-17(25)19(20,21)22)9-7-14-12-23-16-6-4-3-5-15(14)16/h3-6,8,10-12,23H,7,9H2,1-2H3/b10-8+
InChIKey QMRJSOSPNFAWQH-CSKARUKUSA-N
Mol Weight 413.73 g/mol
Molecular Formula C19H19Cl3N2O2
Exact Mass 412.051211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KBog8RB34t
Name 4-{(3"',3"'-Dimethylacryloyl)[2'-(3''-indolyl)ethyl]amino}-1,1,1-trichloro-3-buten-2-one
CAS Registry Number 142656-07-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19Cl3N2O2
InChI InChI=1S/C19H19Cl3N2O2/c1-13(2)11-18(26)24(10-8-17(25)19(20,21)22)9-7-14-12-23-16-6-4-3-5-15(14)16/h3-6,8,10-12,23H,7,9H2,1-2H3/b10-8+
InChIKey QMRJSOSPNFAWQH-CSKARUKUSA-N
Molecular Weight 413.732 g/mol
SMILES [nH]1c2c(c(c1)CCN(C(C=C(C)C)=O)\C=C\C(C(Cl)(Cl)Cl)=O)cccc2
SPLASH splash10-001l-9200000000-61565199faaca76f0fc2
Source of Spectrum U-1992-1065-4
Synonyms N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-[(1E)-4,4,4-trichloro-3-oxo-1-butenyl]-2-butenamide
Wiley ID 764519