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(1RS,2RS,3RS,6RS)-1,2-O-Isopropylidene-3,6-bis(phenylthio)cyclohex-4-en-1,2-diol
SpectraBase Compound ID GJPLpFc9JAm
InChI InChI=1S/C21H22O2S2/c1-21(2)22-19-17(24-15-9-5-3-6-10-15)13-14-18(20(19)23-21)25-16-11-7-4-8-12-16/h3-14,17-20H,1-2H3
InChIKey RLEZQURUDYKAOB-UHFFFAOYSA-N
Mol Weight 370.53 g/mol
Molecular Formula C21H22O2S2
Exact Mass 370.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Y0YvVWEtc
Name (1RS,2RS,3RS,6RS)-1,2-O-Isopropylidene-3,6-bis(phenylthio)cyclohex-4-en-1,2-diol
Alternate Name(s) 2,2-Dimethyl-4,7-bis(phenylsulfanyl)-3a,4,7,7a-tetrahydro-1,3-benzodioxole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H22O2S2
InChI InChI=1S/C21H22O2S2/c1-21(2)22-19-17(24-15-9-5-3-6-10-15)13-14-18(20(19)23-21)25-16-11-7-4-8-12-16/h3-14,17-20H,1-2H3
InChIKey RLEZQURUDYKAOB-UHFFFAOYSA-N
Molecular Weight 370.525 g/mol
SMILES C12C(OC(O2)(C)C)C(Sc2ccccc2)C=CC1Sc1ccccc1
SPLASH splash10-066r-5970000000-fb626a3afb9e6604e5a1
Source of Spectrum F-50-3715-10
Wiley ID 1354295