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Amprenavir artifact (HOOC-) -H2O    @
SpectraBase Compound ID HeO1eRiGDsF
InChI InChI=1S/C21H27N3O4S/c1-16(2)15-24(29(27,28)20-10-8-18(22)9-11-20)13-12-19(23-21(25)26)14-17-6-4-3-5-7-17/h3-12,16,23H,13-15,22H2,1-2H3,(H,25,26)/b19-12+
InChIKey VIGCVQSWWKOFAA-XDHOZWIPSA-N
Mol Weight 417.52 g/mol
Molecular Formula C21H27N3O4S
Exact Mass 417.172228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BBrrwcV01BA
Name Amprenavir artifact (HOOC-) -H2O @
Classification Virustatic
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Exact Mass 417.172227531 u
Formula C21H27N3O4S
InChI InChI=1S/C21H27N3O4S/c1-16(2)15-24(29(27,28)20-10-8-18(22)9-11-20)13-12-19(23-21(25)26)14-17-6-4-3-5-7-17/h3-12,16,23H,13-15,22H2,1-2H3,(H,25,26)/b19-12+
InChIKey VIGCVQSWWKOFAA-XDHOZWIPSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 417.524 g/mol
SMILES c1(N)ccc(S(=O)(N(CC(C)C)C\C=C/(NC(O)=O)Cc2ccccc2)=O)cc1
SPLASH splash10-0a4l-8910000000-9c2d176750df40722498
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 Darunavir artifact (HOOC-) -H2O
Technique GC/MS
Wiley ID MMPW6e_7959