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Furosemide 3TMS
SpectraBase Compound ID AeFG08t4GKi
InChI InChI=1S/C21H35ClN2O5SSi3/c1-31(2,3)23-30(26,27)20-13-17(21(25)29-33(7,8)9)19(14-18(20)22)24(32(4,5)6)15-16-11-10-12-28-16/h10-14,23H,15H2,1-9H3
InChIKey CFUYQDYMOWVKNM-UHFFFAOYSA-N
Mol Weight 547.3 g/mol
Molecular Formula C21H35ClN2O5SSi3
Exact Mass 546.126301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 232wqBEuzQ
Name Furosemide 3TMS
Classification Diuretic
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Exact Mass 546.126300709 u
Formula C21H35ClN2O5SSi3
InChI InChI=1S/C21H35ClN2O5SSi3/c1-31(2,3)23-30(26,27)20-13-17(21(25)29-33(7,8)9)19(14-18(20)22)24(32(4,5)6)15-16-11-10-12-28-16/h10-14,23H,15H2,1-9H3
InChIKey CFUYQDYMOWVKNM-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 547.288 g/mol
SMILES C[Si](OC(c1cc(S(N[Si](C)(C)C)(=O)=O)c(cc1N(Cc1occc1)[Si](C)(C)C)Cl)=O)(C)C
SPLASH splash10-001i-9410010000-383ae087f07350dde4e1
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
Technique GC/MS
Wiley ID MMPW6e_4550