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4-Cyano-2'-isopropenyl-2'-methylspiro[3,4-dihydro-2H]-[1]benzothiopyran-2,1'-cycloproopane]
SpectraBase Compound ID CEVvdxjoutb
InChI InChI=1S/C16H17NS/c1-11(2)15(3)10-16(15)8-12(9-17)13-6-4-5-7-14(13)18-16/h4-7,12H,1,8,10H2,2-3H3
InChIKey SMBQAWCKPJRDRI-UHFFFAOYSA-N
Mol Weight 255.38 g/mol
Molecular Formula C16H17NS
Exact Mass 255.108171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D3Amo4gypUH
Name 4-Cyano-2'-isopropenyl-2'-methylspiro[3,4-dihydro-2H]-[1]benzothiopyran-2,1'-cycloproopane]
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17NS
InChI InChI=1S/C16H17NS/c1-11(2)15(3)10-16(15)8-12(9-17)13-6-4-5-7-14(13)18-16/h4-7,12H,1,8,10H2,2-3H3
InChIKey SMBQAWCKPJRDRI-UHFFFAOYSA-N
Molecular Weight 255.379 g/mol
SMILES C12(C(C(=C)C)(C)C2)Sc2ccccc2C(C1)C#N
SPLASH splash10-0a4i-0900000000-fa4c35b30cac8556a8d6
Source of Spectrum KC-0-2235-11
Wiley ID 786316