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anti,anti-2-(.alpha.-Dimethylaminobenzyl)-1-methanesulfonylcyclohexane
SpectraBase Compound ID 50kQ2PcmSWR
InChI InChI=1S/C16H25NO3S/c1-17(2)16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)20-21(3,18)19/h4-6,9-10,14-16H,7-8,11-12H2,1-3H3/t14-,15-,16+/m1/s1
InChIKey HMRFMSYICRHRNG-OAGGEKHMSA-N
Mol Weight 311.44 g/mol
Molecular Formula C16H25NO3S
Exact Mass 311.155515 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HfmEqz8PFkH
Name anti,anti-2-(.alpha.-Dimethylaminobenzyl)-1-methanesulfonylcyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H25NO3S
InChI InChI=1S/C16H25NO3S/c1-17(2)16(13-9-5-4-6-10-13)14-11-7-8-12-15(14)20-21(3,18)19/h4-6,9-10,14-16H,7-8,11-12H2,1-3H3/t14-,15-,16+/m1/s1
InChIKey HMRFMSYICRHRNG-OAGGEKHMSA-N
Molecular Weight 311.440 g/mol
SMILES [C@@]1(OS(=O)(=O)C)([C@]([C@@](N(C)C)(c2ccccc2)[H])(CCCC1)[H])[H]
SPLASH splash10-00lr-0950000000-0a1d63435ee2d202c7c4
Source of Spectrum C5-2002-1370-8
Synonyms 2-[(dimethylamino)(phenyl)methyl]cyclohexyl methanesulfonate anti,anti-2-(.alpha.-N,N-Dimethylaminobenzyl)-1-mesyloxycyclohexane
Wiley ID 1614770