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Zofenopril methyl ester
SpectraBase Compound ID D8MK4MXC46c
InChI InChI=1S/C23H25NO4S2/c1-16(15-29-23(27)17-9-5-3-6-10-17)21(25)24-14-19(13-20(24)22(26)28-2)30-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3/t16-,19+,20+/m1/s1
InChIKey ZVJLQPJANZUDRV-UXPWSPDFSA-N
Mol Weight 443.58 g/mol
Molecular Formula C23H25NO4S2
Exact Mass 443.122501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cmk2ljTms7D
Name Zofenopril methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25NO4S2
InChI InChI=1S/C23H25NO4S2/c1-16(15-29-23(27)17-9-5-3-6-10-17)21(25)24-14-19(13-20(24)22(26)28-2)30-18-11-7-4-8-12-18/h3-12,16,19-20H,13-15H2,1-2H3/t16-,19+,20+/m1/s1
InChIKey ZVJLQPJANZUDRV-UXPWSPDFSA-N
Instrument Name Hewlett Packard 5890-VG Trio-2
Ionization Type EI
Literature Reference DOI 10.1002/rcm.1290010713
Molecular Weight 443.576 g/mol
SMILES C(SC(c1ccccc1)=O)[C@](C(=O)N1[C@@](C[C@@](C1)(Sc1ccccc1)[H])(C(OC)=O)[H])(C)[H]
SPLASH splash10-0a4i-1911000000-33888bf3c075526cfb6c
Source of Spectrum RCM-1-131-7
Wiley ID 1837116