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Dapaglifozin 4TMS
SpectraBase Compound ID 1JQOfcvbA6C
InChI InChI=1S/C33H57ClO6Si4/c1-14-35-27-18-15-24(16-19-27)21-26-22-25(17-20-28(26)34)30-32(39-43(8,9)10)33(40-44(11,12)13)31(38-42(5,6)7)29(37-30)23-36-41(2,3)4/h15-20,22,29-33H,14,21,23H2,1-13H3/t29-,30+,31-,32+,33-/m1/s1
InChIKey RPZYSVFFIYKDOM-YAORSUGWSA-N
Mol Weight 697.6 g/mol
Molecular Formula C33H57ClO6Si4
Exact Mass 696.292073 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kFptWqwoy
Name Dapaglifozin 4TMS
Classification Antidiabetic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 696.292073389 u
Formula C33H57O6ClSi4
InChI InChI=1S/C33H57ClO6Si4/c1-14-35-27-18-15-24(16-19-27)21-26-22-25(17-20-28(26)34)30-32(39-43(8,9)10)33(40-44(11,12)13)31(38-42(5,6)7)29(37-30)23-36-41(2,3)4/h15-20,22,29-33H,14,21,23H2,1-13H3/t29-,30+,31-,32+,33-/m1/s1
InChIKey RPZYSVFFIYKDOM-YAORSUGWSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 697.606 g/mol
SMILES [C@]1(c2ccc(c(Cc3ccc(cc3)OCC)c2)Cl)(O[C@](CO[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@@](O[Si](C)(C)C)([C@]1(O[Si](C)(C)C)[H])[H])[H])[H])[H]
SPLASH splash10-01bi-1259100000-cfe4cb1d66ce23c58e02
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_10324