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Zofenopril artifact (debenzoyl) ME    @
SpectraBase Compound ID LTPIeeYJpt4
InChI InChI=1S/C16H21NO3S2/c1-11(10-21)15(18)17-9-8-13(14(17)16(19)20-2)22-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3
InChIKey ZKTVYPSYABWYLZ-UHFFFAOYSA-N
Mol Weight 339.47 g/mol
Molecular Formula C16H21NO3S2
Exact Mass 339.096286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BdoqzjbxTXL
Name Zofenopril artifact (debenzoyl) ME @
Classification ACE inhibitor
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Exact Mass 339.096285885 u
Formula C16H21NO3S2
InChI InChI=1S/C16H21NO3S2/c1-11(10-21)15(18)17-9-8-13(14(17)16(19)20-2)22-12-6-4-3-5-7-12/h3-7,11,13-14,21H,8-10H2,1-2H3
InChIKey ZKTVYPSYABWYLZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 339.468 g/mol
SMILES c1ccccc1SC1CCN(C1C(OC)=O)C(C(CS)C)=O
SPLASH splash10-00pi-6950000000-b241c43a473513e5f7f5
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 Zofenopril artifact (debenzoyl-) ME Zofenoprilate artifact (debenzoyl-) ME
Technique GC/MS
Wiley ID MMPW6e_8373