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Sulfamethoxazole
SpectraBase Compound ID DNH2K2EzynH
InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChIKey JLKIGFTWXXRPMT-UHFFFAOYSA-N
Mol Weight 253.28 g/mol
Molecular Formula C10H11N3O3S
Exact Mass 253.052112 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Z6Nl1EwRMG
Name Sulfamethoxazole
CAS Registry Number 723-46-6
Classification Pharmaceutical drug, antibiotic
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 253.052112397 u
Formula C10H11N3O3S
InChI InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChIKey JLKIGFTWXXRPMT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 253.276 g/mol
Nominal Mass 253 u
Quality 992
Retention Index 2043
SMILES NC=1C=CC(S(NC=2C=C(ON2)C)(=O)=O)=CC1
SPLASH splash10-05mo-9500000000-78549ad178ce2f8b0b98
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms SMX SMZ 4-Amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Technique GC/MS
Wiley ID DD2024_003974