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4-Benzylsulfanyl-3-bromo-1H-isothiochromene

View entire compound with spectra: 1 MS (GC)

4-Benzylsulfanyl-3-bromo-1H-isothiochromene
SpectraBase Compound ID DUKSgJm4GWy
InChI InChI=1S/C16H13BrS2/c17-16-15(18-10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-19-16/h1-9H,10-11H2
InChIKey HCQCDBSUPWNQJN-UHFFFAOYSA-N
Mol Weight 349.3 g/mol
Molecular Formula C16H13BrS2
Exact Mass 347.964206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzDi8ccukaf
Name 4-Benzylsulfanyl-3-bromo-1H-isothiochromene
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrS2
InChI InChI=1S/C16H13BrS2/c17-16-15(18-10-12-6-2-1-3-7-12)14-9-5-4-8-13(14)11-19-16/h1-9H,10-11H2
InChIKey HCQCDBSUPWNQJN-UHFFFAOYSA-N
Molecular Weight 349.304 g/mol
SMILES C1(=C(SCc2c1cccc2)Br)SCc1ccccc1
SPLASH splash10-002g-9425000000-c95d77fc61b067537898
Source of Spectrum J-63-4630-3
Synonyms 3-Bromo-4-(phenylmethylthio)-1H-2-benzothiopyran 3-Bromanyl-4-(phenylmethylsulfanyl)-1H-isothiochromene
Wiley ID 1340376