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7,7-Dimethyl-1-(phenylsulfanyl)-4,5,6,7-tetrahydro-2-benzofuran

View entire compound with spectra: 1 MS (GC)

7,7-Dimethyl-1-(phenylsulfanyl)-4,5,6,7-tetrahydro-2-benzofuran
SpectraBase Compound ID GPqGkfceSEc
InChI InChI=1S/C16H18OS/c1-16(2)10-6-7-12-11-17-15(14(12)16)18-13-8-4-3-5-9-13/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKey YHKAEPGTVSYEMA-UHFFFAOYSA-N
Mol Weight 258.38 g/mol
Molecular Formula C16H18OS
Exact Mass 258.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BiDe8SZe9Gt
Name 7,7-Dimethyl-1-(phenylsulfanyl)-4,5,6,7-tetrahydro-2-benzofuran
CAS Registry Number 89656-06-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18OS
InChI InChI=1S/C16H18OS/c1-16(2)10-6-7-12-11-17-15(14(12)16)18-13-8-4-3-5-9-13/h3-5,8-9,11H,6-7,10H2,1-2H3
InChIKey YHKAEPGTVSYEMA-UHFFFAOYSA-N
Molecular Weight 258.379 g/mol
SMILES c1(c2c(CCCC2(C)C)co1)Sc1ccccc1
SPLASH splash10-052f-1090000000-a885bbacff0722b69dd6
Source of Spectrum J-49-2035-0
Synonyms 7,7-Dimethyl-1-(phenylthio)-5,6-dihydro-4H-isobenzofuran 7,7-Dimethyl-1-phenylsulfanyl-5,6-dihydro-4H-2-benzofuran 7,7-Dimethyl-1-phenylsulfanyl-5,6-dihydro-4H-isobenzofuran
Wiley ID 1262000