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2H-1-Benzopyran-4-carbonitrile, 6-fluoro-3,4-dihydro-4-[(methylsulfonyl)methyl]-
SpectraBase Compound ID JbYwadk23Tq
InChI InChI=1S/C12H12FNO3S/c1-18(15,16)8-12(7-14)4-5-17-11-3-2-9(13)6-10(11)12/h2-3,6H,4-5,8H2,1H3
InChIKey WTQNHSJSERHJHH-UHFFFAOYSA-N
Mol Weight 269.29 g/mol
Molecular Formula C12H12FNO3S
Exact Mass 269.052193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID eQ5gr17Kt6
Name 2H-1-Benzopyran-4-carbonitrile, 6-fluoro-3,4-dihydro-4-[(methylsulfonyl)methyl]-
CAS Registry Number 121031-76-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12FNO3S
InChI InChI=1S/C12H12FNO3S/c1-18(15,16)8-12(7-14)4-5-17-11-3-2-9(13)6-10(11)12/h2-3,6H,4-5,8H2,1H3
InChIKey WTQNHSJSERHJHH-UHFFFAOYSA-N
Molecular Weight 269.290 g/mol
SMILES C1(c2c(ccc(c2)F)OCC1)(C#N)CS(=O)(=O)C
SPLASH splash10-00ou-0940000000-52ffe7348e9733f39669
Source of Spectrum KC-1988-3220-14
Synonyms 6-Fluoro-3,4-dihydro-4-methylsulphonylmethyl-2H-1-benzopyran-4-carbonitrile 6-Fluoro-4-[(methylsulfonyl)methyl]-4-chromanecarbonitrile 6-Fluoro-4-(methylsulfonylmethyl)-3,4-dihydro-2H-1-benzopyran-4-carbonitrile 6-Fluoro-4-(methylsulfonylmethyl)-2,3-dihydrochromene-4-carbonitrile 6-Fluoro-4-(methylsulfonylmethyl)chromane-4-carbonitrile 6-Fluoranyl-4-(methylsulfonylmethyl)-2,3-dihydrochromene-4-carbonitrile
Wiley ID 1273028