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Hydrochlorothiazide
SpectraBase Compound ID 3OeV18D49NS
InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChIKey JZUFKLXOESDKRF-UHFFFAOYSA-N
Mol Weight 297.73 g/mol
Molecular Formula C7H8ClN3O4S2
Exact Mass 296.964476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KrP2egm8Mjx
Name Hydrochlorothiazide
CAS Registry Number 58-93-5
Classification Diuretic
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Exact Mass 296.964475794 u
Formula C7H8ClN3O4S2
InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
InChIKey JZUFKLXOESDKRF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 297.731 g/mol
SMILES c1(c(cc2c(c1)NCNS2(=O)=O)S(=O)(=O)N)Cl
SPLASH splash10-01ba-3490000000-ed27756075af9817be49
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_813