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trans-13-Phenyl-14-(phenylsulfonyl)dispiro[5.0.5(7).2(6)]tetradecane
SpectraBase Compound ID 97WFItzuMMD
InChI InChI=1S/C26H32O2S/c27-29(28,22-15-7-2-8-16-22)24-23(21-13-5-1-6-14-21)25(17-9-3-10-18-25)26(24)19-11-4-12-20-26/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2/t23-,24-/m0/s1
InChIKey INMRXKUIXWYRBF-ZEQRLZLVSA-N
Mol Weight 408.6 g/mol
Molecular Formula C26H32O2S
Exact Mass 408.212301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9i6vlCRCyXC
Name trans-13-Phenyl-14-(phenylsulfonyl)dispiro[5.0.5(7).2(6)]tetradecane
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H32O2S
InChI InChI=1S/C26H32O2S/c27-29(28,22-15-7-2-8-16-22)24-23(21-13-5-1-6-14-21)25(17-9-3-10-18-25)26(24)19-11-4-12-20-26/h1-2,5-8,13-16,23-24H,3-4,9-12,17-20H2/t23-,24-/m0/s1
InChIKey INMRXKUIXWYRBF-ZEQRLZLVSA-N
Instrument Name Thermo Scientific DFS-HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01794
Molecular Weight 408.600 g/mol
Reported Formula C26H32O2(32)S
SMILES [C@@]1(S(=O)(=O)c2ccccc2)([C@](c2ccccc2)(C2(C11CCCCC1)CCCCC2)[H])[H]
SPLASH splash10-00kf-7920000000-23418480a215c9dc8d63
Sample Comments dr = 81:19
Source of Spectrum A1-23-SM70-5b
Thin-Layer Chromatography Rf = 0.49 (hexane/EtOAc, 4:1)
Wiley ID 1868081