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2-Methyl-5-nitro-3H-2lambda4-benzo[c]isothiazole-2-oxide
SpectraBase Compound ID 3x6AaHQSXTW
InChI InChI=1S/C8H8N2O3S/c1-14(13)5-6-4-7(10(11)12)2-3-8(6)9-14/h2-4H,5H2,1H3
InChIKey JVYNCQAVNNQAJK-UHFFFAOYSA-N
Mol Weight 212.22 g/mol
Molecular Formula C8H8N2O3S
Exact Mass 212.025563 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9QMwxaygp1
Name 2-Methyl-5-nitro-3H-2lambda4-benzo[c]isothiazole-2-oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H8N2O3S
InChI InChI=1S/C8H8N2O3S/c1-14(13)5-6-4-7(10(11)12)2-3-8(6)9-14/h2-4H,5H2,1H3
InChIKey JVYNCQAVNNQAJK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201600823
Molecular Weight 212.223 g/mol
SMILES c12N=S(Cc2cc(cc1)[N+](=O)[O-])(=O)C
SPLASH splash10-0f92-4910000000-f3ddf7c3b90743009213
Source of Spectrum ASC-358-3649/SM12-3g
Synonyms 2-Methyl-5-nitro-3H-2lambda4-benzo[c]isothiazole 2-oxide
Wiley ID 1803479