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Captopril di-methyl derivative
SpectraBase Compound ID 4nmohiKRMGz
InChI InChI=1S/C11H19NO3S/c1-8(7-16-3)10(13)12-6-4-5-9(12)11(14)15-2/h8-9H,4-7H2,1-3H3
InChIKey QIDHYXZIKNWIKJ-UHFFFAOYSA-N
Mol Weight 245.34 g/mol
Molecular Formula C11H19NO3S
Exact Mass 245.108565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID oCLLjDxOy
Name Captopril 2ME
Classification Antihypertensive
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 245.108564647 u
Formula C11H19NO3S
InChI InChI=1S/C11H19NO3S/c1-8(7-16-3)10(13)12-6-4-5-9(12)11(14)15-2/h8-9H,4-7H2,1-3H3
InChIKey QIDHYXZIKNWIKJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 245.337 g/mol
SMILES CSCC(C(=O)N1CCCC1C(=O)OC)C
SPLASH splash10-00dr-9520000000-f57ec80a6164c6b24c56
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_6418