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Carvedilol TMSTFA
SpectraBase Compound ID 1tywsJptN1a
InChI InChI=1S/C29H33F3N2O5Si/c1-36-24-14-7-8-15-25(24)38-20-18-33(28(35)29(30,31)32)17-10-19-37-26-16-9-13-23-27(26)21-11-5-6-12-22(21)34(23)39-40(2,3)4/h5-9,11-16H,10,17-20H2,1-4H3
InChIKey QYOXOHVXZBMTTH-UHFFFAOYSA-N
Mol Weight 574.7 g/mol
Molecular Formula C29H33F3N2O5Si
Exact Mass 574.211083 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JahTRm5b2Kh
Name Carvedilol TMSTFA
Classification Beta-Blocker
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Exact Mass 574.211083190 u
Formula C29H33F3N2O5Si
InChI InChI=1S/C29H33F3N2O5Si/c1-36-24-14-7-8-15-25(24)38-20-18-33(28(35)29(30,31)32)17-10-19-37-26-16-9-13-23-27(26)21-11-5-6-12-22(21)34(23)39-40(2,3)4/h5-9,11-16H,10,17-20H2,1-4H3
InChIKey QYOXOHVXZBMTTH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 574.672 g/mol
Related CAS Registry Number(s) 72956-09-3
SMILES c12cccc(c2c2c(cccc2)[n]1O[Si](C)(C)C)OCCCN(C(C(F)(F)F)=O)CCOc1c(cccc1)OC
SPLASH splash10-0fdo-4954100000-eb777e11306f9cb461ec
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 Carvedilol TMSTFA
Technique GC/MS
Wiley ID MMPW6e_6140