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Tiropramide
SpectraBase Compound ID Gp9ws8gPf16
InChI InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)
InChIKey FDBWMYOFXWMGEY-UHFFFAOYSA-N
Mol Weight 467.7 g/mol
Molecular Formula C28H41N3O3
Exact Mass 467.314792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4iAtEu1lJo
Name Tiropramide
CAS Registry Number 55837-29-1
Classification Antispasmotic
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 467.314792189 u
Formula C28H41N3O3
InChI InChI=1S/C28H41N3O3/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32)
InChIKey FDBWMYOFXWMGEY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 467.654 g/mol
SMILES C(C(NC(=O)c1ccccc1)Cc1ccc(cc1)OCCN(CC)CC)(N(CCC)CCC)=O
SPLASH splash10-000i-9200000000-8daf1ed13919bfbb38ed
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_5687