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(E)-2-(Benzoylamino)-3-[1-benzyl-3-methyl-5-phenyl-1H-pyrazol-4-yl]propenoic acid
SpectraBase Compound ID LrYSgEkrSS2
InChI InChI=1S/C27H23N3O3/c1-19-23(17-24(27(32)33)28-26(31)22-15-9-4-10-16-22)25(21-13-7-3-8-14-21)30(29-19)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3,(H,28,31)(H,32,33)/b24-17+
InChIKey HBSBEUNQLYJZLI-JJIBRWJFSA-N
Mol Weight 437.5 g/mol
Molecular Formula C27H23N3O3
Exact Mass 437.173942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24XrwSEIpq
Name (E)-2-(Benzoylamino)-3-[1-benzyl-3-methyl-5-phenyl-1H-pyrazol-4-yl]propenoic acid
Alternate Name(s) (2E)-2-(benzoylamino)-3-(1-benzyl-3-methyl-5-phenyl-1H-pyrazol-4-yl)-2-propenoic acid
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23N3O3
InChI InChI=1S/C27H23N3O3/c1-19-23(17-24(27(32)33)28-26(31)22-15-9-4-10-16-22)25(21-13-7-3-8-14-21)30(29-19)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3,(H,28,31)(H,32,33)/b24-17+
InChIKey HBSBEUNQLYJZLI-JJIBRWJFSA-N
Molecular Weight 437.499 g/mol
SMILES N(\C(C(=O)O)=C\c1c([n](Cc2ccccc2)nc1C)-c1ccccc1)C(=O)c1ccccc1
SPLASH splash10-0a4r-0900500000-d0c01cd4562747a65aaa
Source of Spectrum F-55-277-5
Wiley ID 836460