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4-Cyano-2-(4-hydroxy-2,3-dimethylbut-2-enyl)-2H-1-benzothiopyran
SpectraBase Compound ID Ldds7cDcdDB
InChI InChI=1S/C16H17NOS/c1-11(12(2)10-18)7-14-8-13(9-17)15-5-3-4-6-16(15)19-14/h3-6,8,14,18H,7,10H2,1-2H3/b12-11+
InChIKey ASXHYQZEXGZVQR-VAWYXSNFSA-N
Mol Weight 271.38 g/mol
Molecular Formula C16H17NOS
Exact Mass 271.103085 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8hoNG3WFZKw
Name 4-Cyano-2-(4-hydroxy-2,3-dimethylbut-2-enyl)-2H-1-benzothiopyran
Comments Less than 3 mono-isotopic peaks
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Formula C16H17NOS
InChI InChI=1S/C16H17NOS/c1-11(12(2)10-18)7-14-8-13(9-17)15-5-3-4-6-16(15)19-14/h3-6,8,14,18H,7,10H2,1-2H3/b12-11+
InChIKey ASXHYQZEXGZVQR-VAWYXSNFSA-N
Molecular Weight 271.378 g/mol
SMILES OC\C(=C\(CC1C=C(c2c(S1)cccc2)C#N)C)C
SPLASH splash10-00di-0900000000-53737452749f17c98c08
Source of Spectrum KC-0-2234-5
Synonyms 2-[(2E)-4-hydroxy-2,3-dimethyl-2-butenyl]-2H-1-benzothiopyran-4-carbonitrile
Wiley ID 786321