Bicyclo[2.2.2]octane-2,3-D2, 5-(phenylsulfonyl)-, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.beta.)-(.+-.)-

SpectraBase Compound ID	50aDIftw4oy
InChI	InChI=1S/C14H18O2S/c15-17(16,13-4-2-1-3-5-13)14-10-11-6-8-12(14)9-7-11/h1-5,11-12,14H,6-10H2/t11-,12+,14-/m1/s1/i6D,8D/t6-,8+,11+,12-,14-
InChIKey	IACDGTVKZLAVPK-KVMMLNADSA-N Google Search
Mol Weight	252.37 g/mol
Molecular Formula	C14H162D2O2S
Exact Mass	252.115304 g/mol

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SpectraBase Spectrum ID	3Vy1Uv8UAMj
Name	Bicyclo[2.2.2]octane-2,3-D2, 5-(phenylsulfonyl)-, (1.alpha.,2.alpha.,3.alpha.,4.alpha.,5.beta.)-(.+-.)-
CAS Registry Number	127311-50-6
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C14H16D2O2S
InChI	InChI=1S/C14H18O2S/c15-17(16,13-4-2-1-3-5-13)14-10-11-6-8-12(14)9-7-11/h1-5,11-12,14H,6-10H2/t11-,12+,14-/m1/s1/i6D,8D/t6-,8+,11+,12-,14-
InChIKey	IACDGTVKZLAVPK-KVMMLNADSA-N
Molecular Weight	252.368 g/mol
SMILES	[C@@]1(S(=O)(=O)c2ccccc2)([C@@]2([C@]([2D])([H])[C@]([C@](C1)(CC2)[H])([2D])[H])[H])[H]
SPLASH	splash10-03xr-8900000000-b6c08db93f50d8f15539
Source of Spectrum	J-55-3846-21
Synonyms	2-(Phenylsulfonyl)[5,6-(2)H(2)]bicyclo[2.2.2]octane
Wiley ID	1253260