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4-{(2"'-Butenoyl)[2'-(3'-indolyl)ethyl]amino}-1,1,1-trichloro-3-buten-2-one
SpectraBase Compound ID C0QYi95js0W
InChI InChI=1S/C18H17Cl3N2O2/c1-2-5-17(25)23(11-9-16(24)18(19,20)21)10-8-13-12-22-15-7-4-3-6-14(13)15/h2-7,9,11-12,22H,8,10H2,1H3/b5-2+,11-9+
InChIKey JDJQXFSRLHKOJZ-LBPHOODGSA-N
Mol Weight 399.71 g/mol
Molecular Formula C18H17Cl3N2O2
Exact Mass 398.035561 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TVDmSoDjuY
Name 4-{(2"'-Butenoyl)[2'-(3'-indolyl)ethyl]amino}-1,1,1-trichloro-3-buten-2-one
CAS Registry Number 142656-08-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17Cl3N2O2
InChI InChI=1S/C18H17Cl3N2O2/c1-2-5-17(25)23(11-9-16(24)18(19,20)21)10-8-13-12-22-15-7-4-3-6-14(13)15/h2-7,9,11-12,22H,8,10H2,1H3/b5-2+,11-9+
InChIKey JDJQXFSRLHKOJZ-LBPHOODGSA-N
Molecular Weight 399.705 g/mol
SMILES [nH]1c2c(c(c1)CCN(C(\C=C\C)=O)\C=C\C(C(Cl)(Cl)Cl)=O)cccc2
SPLASH splash10-0006-3900000000-2e3b03ad34211e066ad6
Source of Spectrum U-1992-1066-4
Synonyms (2E)-N-[2-(1H-indol-3-yl)ethyl]-N-[(1E)-4,4,4-trichloro-3-oxo-1-butenyl]-2-butenamide
Wiley ID 764518