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5-Nitro-3H-1,2-Benzoxathiole 2,2-dioxide
SpectraBase Compound ID FtAfce98hSq
InChI InChI=1S/C7H5NO5S/c9-8(10)6-1-2-7-5(3-6)4-14(11,12)13-7/h1-3H,4H2
InChIKey NKGKZWZGRMZCMO-UHFFFAOYSA-N
Mol Weight 215.18 g/mol
Molecular Formula C7H5NO5S
Exact Mass 214.988843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nHcls60B2U
Name 5-Nitro-3H-1,2-Benzoxathiole 2,2-dioxide
Alternate Name(s) 2-Hydroxy-5-nitrophenylmethanesulfonic acid sultone 3H-1,2-Benzoxathiole, 5-nitro-, 2,2-dioxide 4-Hydroxy-5-nitrophenylmethanesulfonic acid sultone 5-Nitro-3H-1,2-benzoxathiole-2,3-dioxide
CAS Registry Number 14618-10-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H5NO5S
InChI InChI=1S/C7H5NO5S/c9-8(10)6-1-2-7-5(3-6)4-14(11,12)13-7/h1-3H,4H2
InChIKey NKGKZWZGRMZCMO-UHFFFAOYSA-N
Molecular Weight 215.179 g/mol
SMILES C1S(Oc2c1cc(cc2)N(=O)=O)(=O)=O
SPLASH splash10-0udi-2940000000-cd396c157b613f502a4b
Source of Spectrum KC-61-8421-4
Wiley ID 1630321