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(Z)-1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-phenylphenyl)-5-tetrazolyl]-3-buten-2-one
SpectraBase Compound ID FLAXFxwAB6q
InChI InChI=1S/C19H16Cl3N5O/c1-26(2)12-16(17(28)19(20,21)22)18-23-24-25-27(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3/b16-12+
InChIKey LAPZZYRSWUQZBW-FOWTUZBSSA-N
Mol Weight 436.73 g/mol
Molecular Formula C19H16Cl3N5O
Exact Mass 435.042043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3v5y5oTCU0
Name (Z)-1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-phenylphenyl)-5-tetrazolyl]-3-buten-2-one
CAS Registry Number 152427-18-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16Cl3N5O
InChI InChI=1S/C19H16Cl3N5O/c1-26(2)12-16(17(28)19(20,21)22)18-23-24-25-27(18)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-12H,1-2H3/b16-12+
InChIKey LAPZZYRSWUQZBW-FOWTUZBSSA-N
Molecular Weight 436.730 g/mol
SMILES c1(\C(C(C(Cl)(Cl)Cl)=O)=C\N(C)C)[n](nnn1)-c1ccc(cc1)-c1ccccc1
SPLASH splash10-001i-9511000000-c3ce6b5f3784ff8c61fb
Source of Spectrum AD-0-2532-0
Synonyms (Z)-1,1,1-trichloro-4-(dimethylamino)-3-[1-(4-phenylphenyl)tetrazol-5-yl]but-3-en-2-one (Z)-1,1,1-tris(chloranyl)-4-(dimethylamino)-3-[1-(4-phenylphenyl)-1,2,3,4-tetrazol-5-yl]but-3-en-2-one
Wiley ID 1423873