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2-Cyclopenten-1-one-5,5-D2, 2-[(4-chlorophenyl)amino]-4-[(4-nitrophenyl)amino]-
SpectraBase Compound ID 4dVnk0sS8FZ
InChI InChI=1S/C17H14ClN3O3/c18-11-1-3-13(4-2-11)20-16-9-14(10-17(16)22)19-12-5-7-15(8-6-12)21(23)24/h1-9,14,19-20H,10H2/i10D2
InChIKey RGMQUUXARKNOGF-KBMKNGFXSA-N
Mol Weight 345.78 g/mol
Molecular Formula C17H122D2ClN3O3
Exact Mass 345.084923 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2bFgguvmhUG
Name 2-Cyclopenten-1-one-5,5-D2, 2-[(4-chlorophenyl)amino]-4-[(4-nitrophenyl)amino]-
CAS Registry Number 112370-62-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12D2ClN3O3
InChI InChI=1S/C17H14ClN3O3/c18-11-1-3-13(4-2-11)20-16-9-14(10-17(16)22)19-12-5-7-15(8-6-12)21(23)24/h1-9,14,19-20H,10H2/i10D2
InChIKey RGMQUUXARKNOGF-KBMKNGFXSA-N
Molecular Weight 345.782 g/mol
SMILES N(c1ccc(cc1)N(=O)=O)C1C(C(C(=C1)Nc1ccc(cc1)Cl)=O)([2D])[2D]
SPLASH splash10-004r-0910000000-d56115e9cbfe368bfcd5
Source of Spectrum B-40-521-10
Synonyms 2-(p-chloroanilino)-4-(p-nitroanilino)-(5,5-dideuterio)[cyclopent-2-enone
Wiley ID 1337208