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trans-7-(phenylsulfonyl)-1,2,3,4,5,6,4a,8a-octahydronaphthalene
SpectraBase Compound ID 4ey5HkdBa4e
InChI InChI=1S/C16H20O2S/c17-19(18,15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-3,8-9,12-14H,4-7,10-11H2/t13-,14-/m0/s1
InChIKey JDBXKBLMESASPI-KBPBESRZSA-N
Mol Weight 276.39 g/mol
Molecular Formula C16H20O2S
Exact Mass 276.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdfyUKLGGhW
Name trans-7-(phenylsulfonyl)-1,2,3,4,5,6,4a,8a-octahydronaphthalene
CAS Registry Number 124243-76-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2S
InChI InChI=1S/C16H20O2S/c17-19(18,15-8-2-1-3-9-15)16-11-10-13-6-4-5-7-14(13)12-16/h1-3,8-9,12-14H,4-7,10-11H2/t13-,14-/m0/s1
InChIKey JDBXKBLMESASPI-KBPBESRZSA-N
Molecular Weight 276.394 g/mol
SMILES C1(S(=O)(=O)c2ccccc2)=C[C@@]2(CCCC[C@]2(CC1)[H])[H]
SPLASH splash10-0079-0960000000-2d72e5314dd0d35031b0
Source of Spectrum J-55-1274-11
Synonyms (4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2-naphthalenyl phenyl sulfone (4aS,8aR)-7-(phenylsulfonyl)-1,2,3,4,4a,5,6,8a-octahydronaphthalene
Wiley ID 1280110