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D-Mannose, 4,6-O-(phenylmethylene)-, diethyl mercaptal, (R)-
SpectraBase Compound ID Gx2xmvfZjPP
InChI InChI=1S/C17H26O5S2/c1-3-23-17(24-4-2)14(20)13(19)15-12(18)10-21-16(22-15)11-8-6-5-7-9-11/h5-9,12-20H,3-4,10H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey MLSOULSJQKRJOP-IBEHDNSVSA-N
Mol Weight 374.51 g/mol
Molecular Formula C17H26O5S2
Exact Mass 374.122166 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1C3bn6mbfv
Name D-Mannose, 4,6-O-(phenylmethylene)-, diethyl mercaptal, (R)-
Alternate Name(s) (1R,2S)-3,3-bis(ethylsulfanyl)-1-[(2R,4R,5R)-5-hydroxy-2-phenyl-1,3-dioxan-4-yl]propane-1,2-diol r-4,6-O-benzylidene-D-mannose diethyl dithioacetal
CAS Registry Number 106451-00-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O5S2
InChI InChI=1S/C17H26O5S2/c1-3-23-17(24-4-2)14(20)13(19)15-12(18)10-21-16(22-15)11-8-6-5-7-9-11/h5-9,12-20H,3-4,10H2,1-2H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey MLSOULSJQKRJOP-IBEHDNSVSA-N
Molecular Weight 374.510 g/mol
SMILES O[C@@]1(CO[C@](O[C@]1([C@@]([C@@](C(SCC)SCC)(O)[H])(O)[H])[H])(c1ccccc1)[H])[H]
SPLASH splash10-052r-2900000000-7cd1d7e4d0c02577e3a2
Source of Spectrum I-64-2402-7
Wiley ID 1356436