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Hydrochlorothiazide 4ME
SpectraBase Compound ID KhLOV06Mfdf
InChI InChI=1S/C11H16ClN3O4S2/c1-13(2)20(16,17)10-6-11-9(5-8(10)12)14(3)7-15(4)21(11,18)19/h5-6H,7H2,1-4H3
InChIKey QPVCMENCMBSJLZ-UHFFFAOYSA-N
Mol Weight 353.84 g/mol
Molecular Formula C11H16ClN3O4S2
Exact Mass 353.027076 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JIeQclNXPhg
Name Hydrochlorothiazide 4ME
CAS Registry Number 55670-20-7
Classification Pharmaceutical drug derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 353.027076051 u
Formula C11H16ClN3O4S2
InChI InChI=1S/C11H16ClN3O4S2/c1-13(2)20(16,17)10-6-11-9(5-8(10)12)14(3)7-15(4)21(11,18)19/h5-6H,7H2,1-4H3
InChIKey QPVCMENCMBSJLZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 353.839 g/mol
Nominal Mass 353 u
Quality 903
Retention Index 2602
SMILES C=12S(N(CN(C2=CC(=C(S(N(C)C)(=O)=O)C1)Cl)C)C)(=O)=O
SPLASH splash10-0f79-5974000000-4dec23808e738176154c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 6-chloro-N,N,2,4-tetramethyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda6,2,4-benzothiadiazine-7-\rsulfonamide
Technique GC/MS
Wiley ID DD2024_001626