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5H-Thieno[2,3-c]thiopyran-4-carbonitrile, 3a,4-dihydro-7-(2,4,6-trimethylphenyl)-, cis-
SpectraBase Compound ID IMEhSpiHHEM
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+/m0/s1
InChIKey XJKZKQDKMCNPIO-UONOGXRCSA-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 v8skiwte74
Name 5H-Thieno[2,3-c]thiopyran-4-carbonitrile, 3a,4-dihydro-7-(2,4,6-trimethylphenyl)-, cis-
CAS Registry Number 91197-22-7
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+/m0/s1
InChIKey XJKZKQDKMCNPIO-UONOGXRCSA-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 splash10-03dj-0190000000-80d8a04becf34037744e
Source of Spectrum AJ-57-1136-9
Synonyms (3aS,4S)-7-mesityl-4,5-dihydro-3aH-thieno[2,3-c]thiopyran-4-carbonitrile cis-4-cyano-7-mesityl-3a,4-dihydro-5H-thieno[2,3-c]thiopyran
Wiley ID 1302063