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(E)-3-Benzyl 4-[(4-cyano-.alpha.-tolylthio)methylidene]pyran
SpectraBase Compound ID A0euVaXEHrW
InChI InChI=1S/C21H21NOS/c22-13-18-6-8-19(9-7-18)15-24-16-20-10-11-23-14-21(20)12-17-4-2-1-3-5-17/h1-9,16,21H,10-12,14-15H2/b20-16+
InChIKey XBTCUFULTFZUIT-CAPFRKAQSA-N
Mol Weight 335.47 g/mol
Molecular Formula C21H21NOS
Exact Mass 335.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FvMEE9tTR9w
Name (E)-3-Benzyl 4-[(4-cyano-.alpha.-tolylthio)methylidene]pyran
Alternate Name(s) 4-[[[(E)-[3-(phenylmethyl)-4-oxanylidene]methyl]thio]methyl]benzonitrile 4-[[(E)-(3-benzyloxan-4-ylidene)methyl]sulfanylmethyl]benzonitrile 4-[[(E)-(3-benzyltetrahydropyran-4-ylidene)methyl]sulfanylmethyl]benzonitrile 4-[[(E)-[3-(phenylmethyl)oxan-4-ylidene]methyl]sulfanylmethyl]benzenecarbonitrile
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Formula C21H21NOS
InChI InChI=1S/C21H21NOS/c22-13-18-6-8-19(9-7-18)15-24-16-20-10-11-23-14-21(20)12-17-4-2-1-3-5-17/h1-9,16,21H,10-12,14-15H2/b20-16+
InChIKey XBTCUFULTFZUIT-CAPFRKAQSA-N
Molecular Weight 335.465 g/mol
SMILES C(#N)c1ccc(cc1)CS\C=C\1C(Cc2ccccc2)COCC1
SPLASH splash10-00mo-2961000000-27ec421014ae016cb567
Source of Spectrum J-62-5606-0
Wiley ID 1331793