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7-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride

View entire compound with spectra: 1 MS (GC)

7-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride
SpectraBase Compound ID CBVefAJD9wX
InChI InChI=1S/C9H8ClNO4S/c1-5-2-7-6(11-9(12)4-15-7)3-8(5)16(10,13)14/h2-3H,4H2,1H3,(H,11,12)
InChIKey XYHQQBUPFYZCTB-UHFFFAOYSA-N
Mol Weight 261.68 g/mol
Molecular Formula C9H8ClNO4S
Exact Mass 260.986257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8OrpfDHI0ZW
Name 7-Methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonyl chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8ClNO4S
InChI InChI=1S/C9H8ClNO4S/c1-5-2-7-6(11-9(12)4-15-7)3-8(5)16(10,13)14/h2-3H,4H2,1H3,(H,11,12)
InChIKey XYHQQBUPFYZCTB-UHFFFAOYSA-N
Molecular Weight 261.679 g/mol
SMILES N1C(COc2cc(c(cc12)S(=O)(=O)Cl)C)=O
SPLASH splash10-03fr-9750000000-30c28ccaeee6965e8c02
Source of Spectrum IY-2-5107-4
Synonyms 7-Methyl-3-oxo-4H-1,4-benzoxazine-6-sulfonyl chloride 7-Methyl-3-oxidanylidene-4H-1,4-benzoxazine-6-sulfonyl chloride
Wiley ID 1659057