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Indanavir TFA
SpectraBase Compound ID 5XofnzHmtfB
InChI InChI=1S/C38H46F3N5O5/c1-37(2,3)44-35(49)31-24-45(22-26-12-9-15-42-21-26)16-17-46(31)23-29(51-36(50)38(39,40)41)19-28(18-25-10-5-4-6-11-25)34(48)43-33-30-14-8-7-13-27(30)20-32(33)47/h4-15,21,28-29,31-33,47H,16-20,22-24H2,1-3H3,(H,43,48)(H,44,49)
InChIKey AMUGIZPGSYHKPB-UHFFFAOYSA-N
Mol Weight 709.8 g/mol
Molecular Formula C38H46F3N5O5
Exact Mass 709.345104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 447yUmn27E
Name Indanavir TFA
Classification Virustatic
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Exact Mass 709.345104085 u
Formula C38H46N5O5F3
InChI InChI=1S/C38H46F3N5O5/c1-37(2,3)44-35(49)31-24-45(22-26-12-9-15-42-21-26)16-17-46(31)23-29(51-36(50)38(39,40)41)19-28(18-25-10-5-4-6-11-25)34(48)43-33-30-14-8-7-13-27(30)20-32(33)47/h4-15,21,28-29,31-33,47H,16-20,22-24H2,1-3H3,(H,43,48)(H,44,49)
InChIKey AMUGIZPGSYHKPB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 709.811 g/mol
SMILES C(C(OC(CN1C(CN(Cc2cccnc2)CC1)C(=O)NC(C)(C)C)CC(Cc1ccccc1)C(=O)NC1c2c(CC1O)cccc2)=O)(F)(F)F
SPLASH splash10-00kf-9613100000-ac047e3bc4c5550b0dd5
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 Indinavir TFA
Technique GC/MS
Wiley ID MMPW6e_7320