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RRZFZKYLUJESEB-WCWDXBQESA-N
SpectraBase Compound ID CrGLUWenjcb
InChI InChI=1S/C32H28N3OP/c1-25(36)23-24-31-26(2)33-35(27-15-7-3-8-16-27)32(31)34-37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-24H,1-2H3/b24-23+
InChIKey RRZFZKYLUJESEB-WCWDXBQESA-N
Mol Weight 501.6 g/mol
Molecular Formula C32H28N3OP
Exact Mass 501.197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7WUCs2cYmpG
Name 3-Methyl-4-(3-oxo-1-butenyl)-1-phenyl-5-[(triphenylphosphroanyliden)amino]-1H-pyrazole
CAS Registry Number 116972-55-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H28N3OP
InChI InChI=1S/C32H28N3OP/c1-25(36)23-24-31-26(2)33-35(27-15-7-3-8-16-27)32(31)34-37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30/h3-24H,1-2H3/b24-23+
InChIKey RRZFZKYLUJESEB-WCWDXBQESA-N
Molecular Weight 501.570 g/mol
SMILES c1([n](nc(c1\C=C\C(=O)C)C)-c1ccccc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
SPLASH splash10-003r-5920020000-c4632953f5b9914ee9b5
Source of Spectrum K-122-311-11
Synonyms (3E)-4-{3-methyl-1-phenyl-5-[(triphenylphosphoranylidene)amino]-1H-pyrazol-4-yl}-3-buten-2-one
Wiley ID 1399071