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2,1-Benzisoxazole-4-carbonyl chloride, 1,3-dihydro-1-methyl-3-oxo-
SpectraBase Compound ID FRUDUbyePWL
InChI InChI=1S/C9H6ClNO3/c1-11-6-4-2-3-5(8(10)12)7(6)9(13)14-11/h2-4H,1H3
InChIKey GXCSMIOBIHWSFG-UHFFFAOYSA-N
Mol Weight 211.6 g/mol
Molecular Formula C9H6ClNO3
Exact Mass 211.003621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JmhJEjOqm45
Name 2,1-Benzisoxazole-4-carbonyl chloride, 1,3-dihydro-1-methyl-3-oxo-
Alternate Name(s) 1-Methyl-3-oxo-1,3-dihydrobenzo[c]isoxazole-4-carbonyl chloride 1-Methyl-3-oxo-1,3-dihydro-2,1-benzoxazole-4-carbonyl chloride 1-Methyl-3-oxo-2,1-benzoxazole-4-carbonyl chloride 1-Methyl-3-oxidanylidene-2,1-benzoxazole-4-carbonyl chloride
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Formula C9H6ClNO3
InChI InChI=1S/C9H6ClNO3/c1-11-6-4-2-3-5(8(10)12)7(6)9(13)14-11/h2-4H,1H3
InChIKey GXCSMIOBIHWSFG-UHFFFAOYSA-N
Molecular Weight 211.604 g/mol
SMILES CN1OC(=O)c2c(cccc12)C(Cl)=O
SPLASH splash10-0fb9-9510000000-036d9af782bd8df98bbe
Source of Spectrum JX-2015-0-87
Wiley ID 1720074