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2H-Naphtho[1,2-b]thiopyran-3-carbonitrile, 3,4,5,6-tetrahydro-4-phenyl-
SpectraBase Compound ID HMT0DTbFnJE
InChI InChI=1S/C20H17NS/c21-12-16-13-22-20-17-9-5-4-6-14(17)10-11-18(20)19(16)15-7-2-1-3-8-15/h1-9,16,19H,10-11,13H2
InChIKey OWHWWGQRKPXKQS-UHFFFAOYSA-N
Mol Weight 303.42 g/mol
Molecular Formula C20H17NS
Exact Mass 303.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4mmhU8Ee2b9
Name 2H-Naphtho[1,2-b]thiopyran-3-carbonitrile, 3,4,5,6-tetrahydro-4-phenyl-
CAS Registry Number 67254-62-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17NS
InChI InChI=1S/C20H17NS/c21-12-16-13-22-20-17-9-5-4-6-14(17)10-11-18(20)19(16)15-7-2-1-3-8-15/h1-9,16,19H,10-11,13H2
InChIKey OWHWWGQRKPXKQS-UHFFFAOYSA-N
Molecular Weight 303.423 g/mol
SMILES C12=C(SCC(C2c2ccccc2)C#N)c2ccccc2CC1
SPLASH splash10-0f6t-0092000000-4d2a32790ac5523a2083
Source of Spectrum J-43-4149-0
Wiley ID 1305824