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5H-Thieno[2,3-c]thiopyran-4-carbonitrile, 3a,4-dihydro-7-(2,4,6-trimethylphenyl)-, trans-
SpectraBase Compound ID HqdHdu0GfEP
InChI InChI=1S/C17H17NS2/c1-10-6-11(2)15(12(3)7-10)17-16-14(4-5-19-16)13(8-18)9-20-17/h4-7,13-14H,9H2,1-3H3/t13-,14-/m1/s1
InChIKey XJKZKQDKMCNPIO-ZIAGYGMSSA-N
Mol Weight 299.45 g/mol
Molecular Formula C17H17NS2
Exact Mass 299.080242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLCtH40qENQ
Name 5H-Thieno[2,3-c]thiopyran-4-carbonitrile, 3a,4-dihydro-7-(2,4,6-trimethylphenyl)-, trans-
CAS Registry Number 91197-23-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17NS2
InChI InChI=1S/C17H17NS2/c1-10-6-11(2)15(12(3)7-10)17-16-14(4-5-19-16)13(8-18)9-20-17/h4-7,13-14H,9H2,1-3H3/t13-,14-/m1/s1
InChIKey XJKZKQDKMCNPIO-ZIAGYGMSSA-N
Molecular Weight 299.450 g/mol
SMILES C1(=C2[C@@](C=CS2)([H])[C@@](CS1)(C#N)[H])c1c(cc(cc1C)C)C
SPLASH splash10-01ot-0090000000-b892fad5dd1763600ebc
Source of Spectrum AJ-57-1136-9
Synonyms (3aS,4R)-7-mesityl-4,5-dihydro-3aH-thieno[2,3-c]thiopyran-4-carbonitrile trans-4-cyano-7-mesityl-3a,4-dihydro-5H-thieno[2,3-c]thiopyran
Wiley ID 1302062