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2H-1-Benzothiopyran-4-carbonitrile, 3,4-dihydro-2,3-dimethyl-, (2.alpha.,3.beta.,4.alpha.)-
SpectraBase Compound ID 9vPve8zZgXK
InChI InChI=1S/C12H13NS/c1-8-9(2)14-12-6-4-3-5-10(12)11(8)7-13/h3-6,8-9,11H,1-2H3/t8-,9-,11+/m0/s1
InChIKey MRFNFKCPVGTVNP-ATZCPNFKSA-N
Mol Weight 203.3 g/mol
Molecular Formula C12H13NS
Exact Mass 203.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iZV8NZLCQQ
Name 2H-1-Benzothiopyran-4-carbonitrile, 3,4-dihydro-2,3-dimethyl-, (2.alpha.,3.beta.,4.alpha.)-
CAS Registry Number 120850-83-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NS
InChI InChI=1S/C12H13NS/c1-8-9(2)14-12-6-4-3-5-10(12)11(8)7-13/h3-6,8-9,11H,1-2H3/t8-,9-,11+/m0/s1
InChIKey MRFNFKCPVGTVNP-ATZCPNFKSA-N
Molecular Weight 203.303 g/mol
SMILES c12S[C@]([C@@]([C@](c2cccc1)(C#N)[H])(C)[H])(C)[H]
SPLASH splash10-0udi-0970000000-e06dce624626d99c55ff
Source of Spectrum KC-1988-3379-13
Synonyms (2S,3R,4R)-2,3-dimethyl-3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile cis,trans-2,3-dimethylthiochroman-4-carbonitrile
Wiley ID 1200936