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Cyclopenthiazide 4ME
SpectraBase Compound ID 6jQTesWgJIY
InChI InChI=1S/C17H26ClN3O4S2/c1-19(2)26(22,23)15-11-16-14(10-13(15)18)20(3)17(21(4)27(16,24)25)9-12-7-5-6-8-12/h10-12,17H,5-9H2,1-4H3
InChIKey TXSYDTLDYBXKGX-UHFFFAOYSA-N
Mol Weight 435.99 g/mol
Molecular Formula C17H26ClN3O4S2
Exact Mass 435.105326 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BfSkn40bVY1
Name Cyclopenthiazide 4ME
Classification Diuretic
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Exact Mass 435.105326373 u
Formula C17H26N3O4ClS2
InChI InChI=1S/C17H26ClN3O4S2/c1-19(2)26(22,23)15-11-16-14(10-13(15)18)20(3)17(21(4)27(16,24)25)9-12-7-5-6-8-12/h10-12,17H,5-9H2,1-4H3
InChIKey TXSYDTLDYBXKGX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 435.985 g/mol
SMILES c1(cc2S(=O)(=O)N(C)C(N(c2cc1Cl)C)CC1CCCC1)S(=O)(N(C)C)=O
SPLASH splash10-0udi-1119000000-3aa46d2027fb2b1f665b
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.
Sample Preparation Procedure Detected: UEXME
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_6849