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2-Cyclopenten-1-one-5,5-D2, 2,4-bis[(4-chlorophenyl)amino]-
SpectraBase Compound ID BXVeYtC34aS
InChI InChI=1S/C17H14Cl2N2O/c18-11-1-5-13(6-2-11)20-15-9-16(17(22)10-15)21-14-7-3-12(19)4-8-14/h1-9,15,20-21H,10H2/i10D2
InChIKey SWSSNOYTQSLGLF-KBMKNGFXSA-N
Mol Weight 335.23 g/mol
Molecular Formula C17H122D2Cl2N2O
Exact Mass 334.060872 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tvxdzAy75R
Name 2-Cyclopenten-1-one-5,5-D2, 2,4-bis[(4-chlorophenyl)amino]-
CAS Registry Number 112370-63-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12D2Cl2N2O
InChI InChI=1S/C17H14Cl2N2O/c18-11-1-5-13(6-2-11)20-15-9-16(17(22)10-15)21-14-7-3-12(19)4-8-14/h1-9,15,20-21H,10H2/i10D2
InChIKey SWSSNOYTQSLGLF-KBMKNGFXSA-N
Molecular Weight 335.230 g/mol
SMILES N(c1ccc(cc1)Cl)C1C(C(C(=C1)Nc1ccc(cc1)Cl)=O)([2D])[2D]
SPLASH splash10-004i-0910000000-0fac28613e4dcf630e15
Source of Spectrum B-40-521-9
Synonyms 2,4-Di-(p-chloroanilino)-(5,5-dideuterio)[cyclopent-2-enone
Wiley ID 1329234