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3-Isothiazolone
SpectraBase Compound ID GqTawEiBqBP
InChI InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
InChIKey MGIYRDNGCNKGJU-UHFFFAOYSA-N
Mol Weight 101.12 g/mol
Molecular Formula C3H3NOS
Exact Mass 100.993535 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JqLNakHkgRw
Name 3-Isothiazolone
CAS Registry Number 1003-07-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C3H3NOS
InChI InChI=1S/C3H3NOS/c5-3-1-2-6-4-3/h1-2H,(H,4,5)
InChIKey MGIYRDNGCNKGJU-UHFFFAOYSA-N
Instrument Name Bruker WM-250
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3