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6-nitro-3H-1,3-benzothiazol-2-one
SpectraBase Compound ID 3gvp71asz5y
InChI InChI=1S/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
InChIKey QITPMSSAFSZYOP-UHFFFAOYSA-N
Mol Weight 196.18 g/mol
Molecular Formula C7H4N2O3S
Exact Mass 195.994263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4N21lF2G3G0
Name 6-Nitro-2(3H)-benzothiazolone
CAS Registry Number 28620-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4N2O3S
InChI InChI=1S/C7H4N2O3S/c10-7-8-5-2-1-4(9(11)12)3-6(5)13-7/h1-3H,(H,8,10)
InChIKey QITPMSSAFSZYOP-UHFFFAOYSA-N
Molecular Weight 196.180 g/mol
SMILES N1C(Sc2cc(ccc12)N(=O)=O)=O
SPLASH splash10-0002-0900000000-61e85605658e898ace1d
Source of Spectrum Y-29-1074-6
Synonyms 6-Nitro-1,3-benzothiazol-2(3H)-one 6-Nitro-3H-1,3-benzothiazol-2-one
Wiley ID 1192496