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D-erythro-Pentose, 2-deoxy-, diethyl mercaptal, 3,5-bis(4-methylbenzoate)
SpectraBase Compound ID Ed3kTIOypZb
InChI InChI=1S/C25H32O5S2/c1-5-31-16-22(32-6-2)23(30-25(28)20-13-9-18(4)10-14-20)21(26)15-29-24(27)19-11-7-17(3)8-12-19/h7-14,21-23,26H,5-6,15-16H2,1-4H3/t21-,22?,23-/m1/s1
InChIKey KYNUFQYRZSGSLH-OJVMETQDSA-N
Mol Weight 476.6 g/mol
Molecular Formula C25H32O5S2
Exact Mass 476.169116 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DouUwyB2ORh
Name D-erythro-Pentose, 2-deoxy-, diethyl mercaptal, 3,5-bis(4-methylbenzoate)
Alternate Name(s) 1,2-Di-S-ethyl-3,5-bis-O-(4-methylbenzoyl)-1,2-dithio-D-erythro-pentitol 1,2-Dideoxy-3,5-di-O-p-toluoyl-D-ribose diethyl dithioacetal
CAS Registry Number 115945-82-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H32O5S2
InChI InChI=1S/C25H32O5S2/c1-5-31-16-22(32-6-2)23(30-25(28)20-13-9-18(4)10-14-20)21(26)15-29-24(27)19-11-7-17(3)8-12-19/h7-14,21-23,26H,5-6,15-16H2,1-4H3/t21-,22?,23-/m1/s1
InChIKey KYNUFQYRZSGSLH-OJVMETQDSA-N
Molecular Weight 476.646 g/mol
SMILES O[C@@]([C@@](OC(c1ccc(cc1)C)=O)(C(SCC)CSCC)[H])(COC(c1ccc(cc1)C)=O)[H]
SPLASH splash10-014i-4900000000-c399140fb8740d3ca5e5
Source of Spectrum KC-1988-546-7
Wiley ID 1394275