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1,3-Bis(4-chlorophenyl)-5-cyanomethylpyrazole
SpectraBase Compound ID 5lI7UiMwsF3
InChI InChI=1S/C17H11Cl2N3/c18-13-3-1-12(2-4-13)17-11-16(9-10-20)22(21-17)15-7-5-14(19)6-8-15/h1-8,11H,9H2
InChIKey YBEDJPLEDJVSKL-UHFFFAOYSA-N
Mol Weight 328.2 g/mol
Molecular Formula C17H11Cl2N3
Exact Mass 327.033003 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2XLGM8r4hmM
Name 1,3-Bis(4-chlorophenyl)-5-cyanomethylpyrazole
Alternate Name(s) [1,3-bis(4-chlorophenyl)-1H-pyrazol-5-yl]acetonitrile 2-(1,3-bis(4-chlorophenyl)-1H-pyrazol-5-yl)acetonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11Cl2N3
InChI InChI=1S/C17H11Cl2N3/c18-13-3-1-12(2-4-13)17-11-16(9-10-20)22(21-17)15-7-5-14(19)6-8-15/h1-8,11H,9H2
InChIKey YBEDJPLEDJVSKL-UHFFFAOYSA-N
Molecular Weight 328.202 g/mol
SMILES c1(n[n](c(c1)CC#N)-c1ccc(cc1)Cl)-c1ccc(cc1)Cl
SPLASH splash10-004i-0209000000-664c319af31d043feccb
Source of Spectrum Y1-41-364-17
Wiley ID 1564935