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S-benzoylcaptopril methyl ester
SpectraBase Compound ID AaIRHpPP55S
InChI InChI=1S/C17H21NO4S/c1-12(11-23-17(21)13-7-4-3-5-8-13)15(19)18-10-6-9-14(18)16(20)22-2/h3-5,7-8,12,14H,6,9-11H2,1-2H3/t12-,14+/m1/s1
InChIKey QLWYJAPECCADLT-OCCSQVGLSA-N
Mol Weight 335.42 g/mol
Molecular Formula C17H21NO4S
Exact Mass 335.119129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7MhCEAAqpe
Name S-benzoylcaptopril methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4S
InChI InChI=1S/C17H21NO4S/c1-12(11-23-17(21)13-7-4-3-5-8-13)15(19)18-10-6-9-14(18)16(20)22-2/h3-5,7-8,12,14H,6,9-11H2,1-2H3/t12-,14+/m1/s1
InChIKey QLWYJAPECCADLT-OCCSQVGLSA-N
Instrument Name Hewlett Packard 5890-VG Trio-2
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290010713
Molecular Weight 335.418 g/mol
SMILES C(SC(c1ccccc1)=O)[C@](C(=O)N1[C@@](CCC1)(C(OC)=O)[H])(C)[H]
SPLASH splash10-0a6r-3920000000-a53ead0a9b15e69a16ad
Source of Spectrum RCM-1-130-3
Wiley ID 1837114