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(1S,4R)-3-(Benzenesulfonyl)-4-(t-butyl)cyclohex-2-en-1-ol
SpectraBase Compound ID 85vRpTXgTdp
InChI InChI=1S/C16H22O3S/c1-16(2,3)14-10-9-12(17)11-15(14)20(18,19)13-7-5-4-6-8-13/h4-8,11-12,14,17H,9-10H2,1-3H3/t12-,14-/m0/s1
InChIKey AFRPGGFHOHDAKD-JSGCOSHPSA-N
Mol Weight 294.41 g/mol
Molecular Formula C16H22O3S
Exact Mass 294.128966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvuPtdElif7
Name (1S,4R)-3-(Benzenesulfonyl)-4-(t-butyl)cyclohex-2-en-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C16H22O3S
InChI InChI=1S/C16H22O3S/c1-16(2,3)14-10-9-12(17)11-15(14)20(18,19)13-7-5-4-6-8-13/h4-8,11-12,14,17H,9-10H2,1-3H3/t12-,14-/m0/s1
InChIKey AFRPGGFHOHDAKD-JSGCOSHPSA-N
Molecular Weight 294.409 g/mol
SMILES O[C@@]1(C=C(S(=O)(=O)c2ccccc2)[C@](CC1)(C(C)(C)C)[H])[H]
SPLASH splash10-00di-0090000000-b943fea149d488d4e2b0
Source of Spectrum C-124-11097-12t-t-But
Synonyms (1S,4R)-3-(benzenesulfonyl)-4-tert-butyl-1-cyclohex-2-enol (1S,4R)-3-(benzenesulfonyl)-4-tert-butylcyclohex-2-en-1-ol (1S,4R)-3-(benzenesulfonyl)-4-tert-butyl-cyclohex-2-en-1-ol (1S,4R)-4-tert-butyl-3-(phenylsulfonyl)cyclohex-2-en-1-ol
Wiley ID 1700891