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6-Nitro-1-methyl-5-methoxy-2,1-benzisothiazoline 2,2-dioxide
SpectraBase Compound ID L3QVtti6XSg
InChI InChI=1S/C9H10N2O5S/c1-10-7-4-8(11(12)13)9(16-2)3-6(7)5-17(10,14)15/h3-4H,5H2,1-2H3
InChIKey NPDMKMZUNNDKEB-UHFFFAOYSA-N
Mol Weight 258.25 g/mol
Molecular Formula C9H10N2O5S
Exact Mass 258.031043 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CtUDjKi6Q8w
Name 6-Nitro-1-methyl-5-methoxy-2,1-benzisothiazoline 2,2-dioxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H10N2O5S
InChI InChI=1S/C9H10N2O5S/c1-10-7-4-8(11(12)13)9(16-2)3-6(7)5-17(10,14)15/h3-4H,5H2,1-2H3
InChIKey NPDMKMZUNNDKEB-UHFFFAOYSA-N
Molecular Weight 258.248 g/mol
SMILES c12N(S(Cc1cc(c(c2)N(=O)=O)OC)(=O)=O)C
SPLASH splash10-0axu-3920000000-1ba5d62fc2116f66dd0b
Source of Spectrum O-28-853-0
Synonyms 5-Methoxy-1-methyl-6-nitro-1,3-dihydro-2,1-benzisothiazole 2,2-dioxide Methyl 1-methyl-6-nitro-2,2-dioxido-1,3-dihydro-2,1-benzisothiazol-5-yl ether
Wiley ID 1261184