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2H-Naphtho[1,2-b]thiopyrancarbonitrile, 3,4,5,6-tetrahydro-4-(4-methoxyphenyl)-
SpectraBase Compound ID 48qTZighA9W
InChI InChI=1S/C21H19NOS/c1-23-16-9-6-15(7-10-16)20-12-17(13-22)24-21-18-5-3-2-4-14(18)8-11-19(20)21/h2-7,9-10,17,20H,8,11-12H2,1H3
InChIKey RYWSSPLMRRUCAX-UHFFFAOYSA-N
Mol Weight 333.45 g/mol
Molecular Formula C21H19NOS
Exact Mass 333.118735 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4L0k4YwItf9
Name 2H-Naphtho[1,2-b]thiopyrancarbonitrile, 3,4,5,6-tetrahydro-4-(4-methoxyphenyl)-
Alternate Name(s) 2(or3)-cyano-4-(p-methoxyphenyl)-5,6-dihydrobenzo[H]-thiochroman 4-(4-methoxyphenyl)-3,4,5,6-tetrahydro-2H-naphtho[1,2-b]thiopyran-2-carbonitrile
CAS Registry Number 67254-47-1
Comments Less than 3 mono-isotopic peaks
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Formula C21H19NOS
InChI InChI=1S/C21H19NOS/c1-23-16-9-6-15(7-10-16)20-12-17(13-22)24-21-18-5-3-2-4-14(18)8-11-19(20)21/h2-7,9-10,17,20H,8,11-12H2,1H3
InChIKey RYWSSPLMRRUCAX-UHFFFAOYSA-N
Molecular Weight 333.449 g/mol
SMILES C12=C(C(c3ccc(cc3)OC)CC(C#N)S1)CCc1c2cccc1
SPLASH splash10-003r-0093000000-fa3d19183ca962ac06e6
Source of Spectrum J-43-4149-0
Wiley ID 1330379