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5-[6'-Butyl-3',4'-dihydro-2H-thiopyran-2-yl]-1,3-benzodioxole
SpectraBase Compound ID Eg3bcUjM0W2
InChI InChI=1S/C17H22O2S/c1-2-3-5-14-6-4-7-15(20-14)10-13-8-9-16-17(11-13)19-12-18-16/h6,8-9,11,15H,2-5,7,10,12H2,1H3
InChIKey LXQMGBQDJXLCCF-UHFFFAOYSA-N
Mol Weight 290.42 g/mol
Molecular Formula C17H22O2S
Exact Mass 290.134051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2Acxp4a06C
Name 5-[6'-Butyl-3',4'-dihydro-2H-thiopyran-2-yl]-1,3-benzodioxole
Alternate Name(s) 5-[(6-butyl-3,4-dihydro-2H-thiopyran-2-yl)methyl]-1,3-benzodioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O2S
InChI InChI=1S/C17H22O2S/c1-2-3-5-14-6-4-7-15(20-14)10-13-8-9-16-17(11-13)19-12-18-16/h6,8-9,11,15H,2-5,7,10,12H2,1H3
InChIKey LXQMGBQDJXLCCF-UHFFFAOYSA-N
Molecular Weight 290.421 g/mol
SMILES C=1(SC(CCC1)Cc1cc2OCOc2cc1)CCCC
SPLASH splash10-0abc-3910000000-aebc9c1acf25a4b755ae
Source of Spectrum H-84-171-14
Wiley ID 847419