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1,1,4a,6-Tetramethyl-5-(phenylthio)methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SpectraBase Compound ID 8naUpuoKoeK
InChI InChI=1S/C21H30S/c1-16-11-12-19-20(2,3)13-8-14-21(19,4)18(16)15-22-17-9-6-5-7-10-17/h5-7,9-11,18-19H,8,12-15H2,1-4H3
InChIKey NKEJVXYVDUVRMJ-UHFFFAOYSA-N
Mol Weight 314.53 g/mol
Molecular Formula C21H30S
Exact Mass 314.206822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3BpKZEhoA1V
Name 1,1,4a,6-Tetramethyl-5-(phenylthio)methyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
CAS Registry Number 155191-62-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H30S
InChI InChI=1S/C21H30S/c1-16-11-12-19-20(2,3)13-8-14-21(19,4)18(16)15-22-17-9-6-5-7-10-17/h5-7,9-11,18-19H,8,12-15H2,1-4H3
InChIKey NKEJVXYVDUVRMJ-UHFFFAOYSA-N
Molecular Weight 314.531 g/mol
SMILES CC1(C2CC=C(C(C2(CCC1)C)CSc1ccccc1)C)C
SPLASH splash10-0aou-9610000000-601eb764430851465bcf
Synonyms 1,1,4a,6-Tetramethyl-5-[(phenylsulfanyl)methyl]-1,2,3,4,4a,5,8,8a-octahydronaphthalene 4,4,7,8a-tetramethyl-8-(phenylsulfanylmethyl)-1,2,3,4a,5,8-hexahydronaphthalene 4,4,7,8a-tetramethyl-8-[(phenylthio)methyl]-1,2,3,4a,5,8-hexahydronaphthalene
Wiley ID 1475673