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4-Butyl-3-phenylthio-1H-2-benzothiopyran
SpectraBase Compound ID 1ZbgrCkMLKi
InChI InChI=1S/C19H20S2/c1-2-3-12-18-17-13-8-7-9-15(17)14-20-19(18)21-16-10-5-4-6-11-16/h4-11,13H,2-3,12,14H2,1H3
InChIKey CQCANQDKPALYOH-UHFFFAOYSA-N
Mol Weight 312.49 g/mol
Molecular Formula C19H20S2
Exact Mass 312.100643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D9nwqlXyA57
Name 4-Butyl-3-phenylthio-1H-2-benzothiopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20S2
InChI InChI=1S/C19H20S2/c1-2-3-12-18-17-13-8-7-9-15(17)14-20-19(18)21-16-10-5-4-6-11-16/h4-11,13H,2-3,12,14H2,1H3
InChIKey CQCANQDKPALYOH-UHFFFAOYSA-N
Molecular Weight 312.489 g/mol
SMILES C1(=C(c2c(CS1)cccc2)CCCC)Sc1ccccc1
SPLASH splash10-0229-0925000000-98d77140c9d0168c1b7f
Source of Spectrum AJ-74-977-10
Synonyms 4-Butyl-1H-2-benzothiopyran-3-yl phenyl sulfide 4-Butyl-3-(phenylsulfanyl)-1H-2-benzothiopyran
Wiley ID 1576751