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4-Butyl-3-fluoro-1H-2-benzothiopyran

View entire compound with spectra: 1 MS (GC)

4-Butyl-3-fluoro-1H-2-benzothiopyran
SpectraBase Compound ID Ag6uPOgqMY
InChI InChI=1S/C13H15FS/c1-2-3-7-12-11-8-5-4-6-10(11)9-15-13(12)14/h4-6,8H,2-3,7,9H2,1H3
InChIKey JFMXTILEDXFNFZ-UHFFFAOYSA-N
Mol Weight 222.32 g/mol
Molecular Formula C13H15FS
Exact Mass 222.08785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TMBfH1A92
Name 4-Butyl-3-fluoro-1H-2-benzothiopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15FS
InChI InChI=1S/C13H15FS/c1-2-3-7-12-11-8-5-4-6-10(11)9-15-13(12)14/h4-6,8H,2-3,7,9H2,1H3
InChIKey JFMXTILEDXFNFZ-UHFFFAOYSA-N
Molecular Weight 222.321 g/mol
SMILES C1(=C(c2c(CS1)cccc2)CCCC)F
SPLASH splash10-00ba-0940000000-80c011195392a9e81dc1
Source of Spectrum AJ-74-976-9
Synonyms 4-Butyl-3-fluoranyl-1H-isothiochromene 4-Butyl-3-fluoro-1H-isothiochromene
Wiley ID 1576753