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4-Hydroxy-5-methoxy-7-nitro-1,3-benzoxathiole - 3,3-Dioxide
SpectraBase Compound ID yxf0dqSQdi
InChI InChI=1S/C8H7NO7S/c1-15-5-2-4(9(11)12)7-8(6(5)10)17(13,14)3-16-7/h2,10H,3H2,1H3
InChIKey NOZRKPREIFRHDK-UHFFFAOYSA-N
Mol Weight 261.2 g/mol
Molecular Formula C8H7NO7S
Exact Mass 260.994323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LLcu13Dk7si
Name 4-Hydroxy-5-methoxy-7-nitro-1,3-benzoxathiole - 3,3-Dioxide
Alternate Name(s) 5-Methoxy-7-nitro-1,3-benzoxathiol-4-ol 3,3-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO7S
InChI InChI=1S/C8H7NO7S/c1-15-5-2-4(9(11)12)7-8(6(5)10)17(13,14)3-16-7/h2,10H,3H2,1H3
InChIKey NOZRKPREIFRHDK-UHFFFAOYSA-N
Molecular Weight 261.204 g/mol
SMILES Oc1c2S(COc2c(cc1OC)N(=O)=O)(=O)=O
SPLASH splash10-004i-9520000000-4d267274b12375aadaa8
Source of Spectrum D8-329-365-4
Wiley ID 1516182