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1H-3-Iodo-4-benzylthiobenzothiopyran

View entire compound with spectra: 1 MS (GC)

1H-3-Iodo-4-benzylthiobenzothiopyran
SpectraBase Compound ID 43hSo6g3MJW
InChI InChI=1S/C16H13IS2/c17-14-11-18-15-9-5-4-8-13(15)16(14)19-10-12-6-2-1-3-7-12/h1-9,11,16H,10H2
InChIKey ZLCCNNYZWUTTIP-UHFFFAOYSA-N
Mol Weight 396.3 g/mol
Molecular Formula C16H13IS2
Exact Mass 395.950338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JH8KyIUndaD
Name 1H-3-Iodo-4-benzylthiobenzothiopyran
Alternate Name(s) 4-(benzylsulfanyl)-3-iodo-4H-1-benzothiopyran benzyl 3-iodo-4H-1-benzothiopyran-4-yl sulfide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13IS2
InChI InChI=1S/C16H13IS2/c17-14-11-18-15-9-5-4-8-13(15)16(14)19-10-12-6-2-1-3-7-12/h1-9,11,16H,10H2
InChIKey ZLCCNNYZWUTTIP-UHFFFAOYSA-N
Molecular Weight 396.304 g/mol
SMILES C1(C(=CSc2c1cccc2)I)SCc1ccccc1
SPLASH splash10-0002-3309000000-9815d12bb6b0a7e38f87
Source of Spectrum J-63-4630-3
Wiley ID 1367243