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5-(4-Methylphenyl)-3-(2,3,5-tribenzoyl-.beta.-ribofuranosyl)-1,3,4-oxadiazole-2(3H)-thione
SpectraBase Compound ID 7Rmjq6AtdXN
InChI InChI=1S/C35H28N2O8S/c1-22-17-19-23(20-18-22)30-36-37(35(46)45-30)31-29(44-34(40)26-15-9-4-10-16-26)28(43-33(39)25-13-7-3-8-14-25)27(42-31)21-41-32(38)24-11-5-2-6-12-24/h2-20,27-29,31H,21H2,1H3/t27-,28-,29-,31-/m1/s1
InChIKey RFNVAUZKBPVRKY-BUVRPPHQSA-N
Mol Weight 636.7 g/mol
Molecular Formula C35H28N2O8S
Exact Mass 636.156637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4HUnpJtlIGg
Name 5-(4-Methylphenyl)-3-(2,3,5-tribenzoyl-.beta.-ribofuranosyl)-1,3,4-oxadiazole-2(3H)-thione
Alternate Name(s) (2R,3R,4R,5R)-4-(benzoyloxy)-2-[(benzoyloxy)methyl]-5-[5-(4-methylphenyl)-2-sulfanylidene-2,3-dihydro-1,3,4-oxadiazol-3-yl]oxolan-3-yl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H28N2O8S
InChI InChI=1S/C35H28N2O8S/c1-22-17-19-23(20-18-22)30-36-37(35(46)45-30)31-29(44-34(40)26-15-9-4-10-16-26)28(43-33(39)25-13-7-3-8-14-25)27(42-31)21-41-32(38)24-11-5-2-6-12-24/h2-20,27-29,31H,21H2,1H3/t27-,28-,29-,31-/m1/s1
InChIKey RFNVAUZKBPVRKY-BUVRPPHQSA-N
Molecular Weight 636.675 g/mol
SMILES [C@@]1(N2N=C(c3ccc(cc3)C)OC2=S)([C@@]([C@](OC(=O)c2ccccc2)([C@](O1)(COC(=O)c1ccccc1)[H])[H])(OC(=O)c1ccccc1)[H])[H]
SPLASH splash10-000e-0800906000-b1f5ddb93402f743166f
Source of Spectrum CV-0-361-5
Wiley ID 849160