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1,2-Benzisothiazole-2-acetic acid, 6-fluoro-2,3-dihydro-3-oxo-
SpectraBase Compound ID 3pnbtkPxWQY
InChI InChI=1S/C9H6FNO3S/c10-5-1-2-6-7(3-5)15-11(9(6)14)4-8(12)13/h1-3H,4H2,(H,12,13)
InChIKey POKJKRUDZYEREI-UHFFFAOYSA-N
Mol Weight 227.21 g/mol
Molecular Formula C9H6FNO3S
Exact Mass 227.005242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JolHzAvaEzK
Name 1,2-Benzisothiazole-2-acetic acid, 6-fluoro-2,3-dihydro-3-oxo-
Alternate Name(s) 2-(6-fluoro-3-oxo-1,2-benzothiazol-2-yl)acetic acid 2-(6-fluoranyl-3-oxidanylidene-1,2-benzothiazol-2-yl)ethanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6FNO3S
InChI InChI=1S/C9H6FNO3S/c10-5-1-2-6-7(3-5)15-11(9(6)14)4-8(12)13/h1-3H,4H2,(H,12,13)
InChIKey POKJKRUDZYEREI-UHFFFAOYSA-N
Molecular Weight 227.209 g/mol
SMILES OC(=O)CN1C(c2ccc(cc2S1)F)=O
SPLASH splash10-0ugi-3920000000-8c9815801ac27f0d7f09
Source of Spectrum IY-2-4782-9
Wiley ID 1655812