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Spirapril ET
SpectraBase Compound ID Eu0wJEAeBr1
InChI InChI=1S/C24H34N2O5S2/c1-4-30-22(28)19(12-11-18-9-7-6-8-10-18)25-17(3)21(27)26-16-24(32-13-14-33-24)15-20(26)23(29)31-5-2/h6-10,17,19-20,25H,4-5,11-16H2,1-3H3
InChIKey ZJVXKZSQDJZYHW-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C24H34N2O5S2
Exact Mass 494.190915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3IBNBRYsnU
Name Spirapril ET
Classification Antihypertensive
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 494.190914546 u
Formula C24H34N2O5S2
InChI InChI=1S/C24H34N2O5S2/c1-4-30-22(28)19(12-11-18-9-7-6-8-10-18)25-17(3)21(27)26-16-24(32-13-14-33-24)15-20(26)23(29)31-5-2/h6-10,17,19-20,25H,4-5,11-16H2,1-3H3
InChIKey ZJVXKZSQDJZYHW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 494.665 g/mol
Related CAS Registry Number(s) 83647-97-6
SMILES C12(SCCS2)CN(C(C(NC(CCc2ccccc2)C(=O)OCC)C)=O)C(C1)C(OCC)=O
SPLASH splash10-001i-5690000000-2d85117be38350ab5809
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_7513