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3-Acetyl-5-amino-N-(9-ethyl-9H-carbazol-3-yl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SpectraBase Compound ID HrB0aQCfaQK
InChI InChI=1S/C26H22FN5O2/c1-3-31-21-7-5-4-6-19(21)20-14-17(10-13-22(20)31)29-26(34)23-24(15(2)33)30-32(25(23)28)18-11-8-16(27)9-12-18/h4-14H,3,28H2,1-2H3,(H,29,34)
InChIKey DDOPVHSULAMFND-UHFFFAOYSA-N
Mol Weight 455.49 g/mol
Molecular Formula C26H22FN5O2
Exact Mass 455.175753 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B7sN3JAZBCo
Name 3-Acetyl-5-amino-N-(9-ethyl-9H-carbazol-3-yl)-1-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
Appearance Dark brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22FN5O2
InChI InChI=1S/C26H22FN5O2/c1-3-31-21-7-5-4-6-19(21)20-14-17(10-13-22(20)31)29-26(34)23-24(15(2)33)30-32(25(23)28)18-11-8-16(27)9-12-18/h4-14H,3,28H2,1-2H3,(H,29,34)
InChIKey DDOPVHSULAMFND-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP5
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4148
Molecular Weight 455.493 g/mol
SMILES N(C(c1c(n[n](c1N)-c1ccc(cc1)F)C(C)=O)=O)c1ccc2c(c3c(cccc3)[n]2CC)c1
SPLASH splash10-0a4i-0000900000-f84c479f8a9e4ee0986a
Source of Spectrum Y-58-63-4b
Wiley ID 1880845