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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 EfLs3avBDRR
Name Phenylbutazone TMS @
CAS Registry Number 74810-87-0
Classification Analgesic Antiphlogistic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 380.192004683 u
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
Ionization Type Electron Ionization (EI)
Molecular Weight 380.563 g/mol
SMILES C=1(N(N(c2ccccc2)C(C1CCCC)=O)c1ccccc1)O[Si](C)(C)C
SPLASH splash10-00di-9441000000-4b453770f4202838a805
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Suxibuzone artifact TMS
Technique GC/MS
Wiley ID MMPW6e_5442