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2H-Thiopyran-3-carbonitrile, 3,4-dihydro-6-(4-methoxyphenyl)-4-phenyl-, trans-
SpectraBase Compound ID 3elkOhQg0CJ
InChI InChI=1S/C19H17NOS/c1-21-17-9-7-15(8-10-17)19-11-18(16(12-20)13-22-19)14-5-3-2-4-6-14/h2-11,16,18H,13H2,1H3/t16-,18+/m0/s1
InChIKey HIYUZMCRDBIZKE-FUHWJXTLSA-N
Mol Weight 307.41 g/mol
Molecular Formula C19H17NOS
Exact Mass 307.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L6PaZfbEbov
Name 2H-Thiopyran-3-carbonitrile, 3,4-dihydro-6-(4-methoxyphenyl)-4-phenyl-, trans-
CAS Registry Number 67254-69-7
Comments Less than 3 mono-isotopic peaks
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Formula C19H17NOS
InChI InChI=1S/C19H17NOS/c1-21-17-9-7-15(8-10-17)19-11-18(16(12-20)13-22-19)14-5-3-2-4-6-14/h2-11,16,18H,13H2,1H3/t16-,18+/m0/s1
InChIKey HIYUZMCRDBIZKE-FUHWJXTLSA-N
Molecular Weight 307.411 g/mol
SMILES C1=C(SC[C@@]([C@]1(c1ccccc1)[H])(C#N)[H])c1ccc(cc1)OC
SPLASH splash10-0udi-0091000000-6c3b2dd652b4901cc9b9
Source of Spectrum J-43-4149-0
Synonyms (3S,4R)-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-2H-thiopyran-3-carbonitrile 3-Cyano-6-(p-methoxyphenyl)-4-phenyl-3,4-dihydro-2H-thiopyran
Wiley ID 1309089