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Phenylbutazone TMS
SpectraBase Compound ID 5HaPXnvLGZ2
InChI InChI=1S/C22H28N2O2Si/c1-5-6-17-20-21(25)23(18-13-9-7-10-14-18)24(19-15-11-8-12-16-19)22(20)26-27(2,3)4/h7-16H,5-6,17H2,1-4H3
InChIKey KVFUQWZIGYRHGV-UHFFFAOYSA-N
Mol Weight 380.56 g/mol
Molecular Formula C22H28N2O2Si
Exact Mass 380.192005 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hd1SeeMyB2C
Name 3H-Pyrazol-3-one, 4-butyl-1,2-dihydro-1,2-diphenyl-5-[(trimethylsilyl)oxy]-
Alternate Name(s) 4-Butyl-1,2-diphenyl-5-[(trimethylsilyl)oxy]-1,2-dihydro-3H-pyrazol-3-one 4-Butyl-1,2-diphenyl-5-trimethylsilyloxy-3-pyrazolin-3-one 4-Butyl-1,2-diphenyl-5-trimethylsilyloxy-3-pyrazolone 4-Butyl-1,2-diphenyl-5-trimethylsilyloxy-pyrazol-3-one Monotrimethylsilyl derivative of Phenylbutazone
CAS Registry Number 74810-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O2Si
InChI InChI=1S/C22H28N2O2Si/c1-5-6-17-20-21(25)23(18-13-9-7-10-14-18)24(19-15-11-8-12-16-19)22(20)26-27(2,3)4/h7-16H,5-6,17H2,1-4H3
InChIKey KVFUQWZIGYRHGV-UHFFFAOYSA-N
Molecular Weight 380.563 g/mol
SMILES CCCCC=1C(N(c2ccccc2)N(c2ccccc2)C1O[Si](C)(C)C)=O
SPLASH splash10-00fs-9431000000-47eb19e4a8f0fd21302e
Source of Spectrum JH-1982-69-0
Wiley ID 1359826