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7,8,9,10,11,12-Hexahydro-5-phenyl-5H-cycloocta[c]-2-benzothiopyran
SpectraBase Compound ID 5MlXTBcoCyl
InChI InChI=1S/C21H22S/c1-2-7-15-20-18(13-6-1)17-12-8-9-14-19(17)21(22-20)16-10-4-3-5-11-16/h3-5,8-12,14,21H,1-2,6-7,13,15H2
InChIKey DBGJDNAVHVYFJS-UHFFFAOYSA-N
Mol Weight 306.47 g/mol
Molecular Formula C21H22S
Exact Mass 306.144222 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETQPfgfkCkm
Name 7,8,9,10,11,12-Hexahydro-5-phenyl-5H-cycloocta[c]-2-benzothiopyran
Alternate Name(s) 5-Phenyl-7,8,9,10,11,12-hexahydro-5H-cycloocta[c][2]benzothiopyran
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22S
InChI InChI=1S/C21H22S/c1-2-7-15-20-18(13-6-1)17-12-8-9-14-19(17)21(22-20)16-10-4-3-5-11-16/h3-5,8-12,14,21H,1-2,6-7,13,15H2
InChIKey DBGJDNAVHVYFJS-UHFFFAOYSA-N
Molecular Weight 306.467 g/mol
SMILES C1=2SC(c3c(C2CCCCCC1)cccc3)c1ccccc1
SPLASH splash10-0a6r-1169000000-72eff8dfb5d647633536
Source of Spectrum F-53-968-14
Wiley ID 800182