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[(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-(8-phenylmethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate
SpectraBase Compound ID Cqppe9kgOeG
InChI InChI=1S/C24H22N4O6/c29-19-18(13-33-24(31)16-9-5-2-6-10-16)34-21(20(19)30)22-26-23-17(11-25-14-28(23)27-22)32-12-15-7-3-1-4-8-15/h1-11,14,18-21,29-30H,12-13H2/t18-,19-,20-,21-/m1/s1
InChIKey KOZOFBGQOSSGLF-XRXFAXGQSA-N
Mol Weight 462.46 g/mol
Molecular Formula C24H22N4O6
Exact Mass 462.153934 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CGWQDz3snsS
Name [(2R,3S,4R,5S)-3,4-bis(oxidanyl)-5-(8-phenylmethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate
Alternate Name(s) [(2R,3S,4R,5S)-3,4-dihydroxy-5-(8-phenylmethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)oxolan-2-yl]methyl benzoate [(2R,3S,4R,5S)-5-(8-benzyloxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]methyl benzoate benzoic acid [(2R,3S,4R,5S)-3,4-dihydroxy-5-(8-phenylmethoxy-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-oxolanyl]methyl ester
CAS Registry Number 126210-21-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22N4O6
InChI InChI=1S/C24H22N4O6/c29-19-18(13-33-24(31)16-9-5-2-6-10-16)34-21(20(19)30)22-26-23-17(11-25-14-28(23)27-22)32-12-15-7-3-1-4-8-15/h1-11,14,18-21,29-30H,12-13H2/t18-,19-,20-,21-/m1/s1
InChIKey KOZOFBGQOSSGLF-XRXFAXGQSA-N
Molecular Weight 462.462 g/mol
SMILES O[C@@]1([C@@]([C@](O[C@]1(c1nc2C(=CN=C[n]2n1)OCc1ccccc1)[H])(COC(=O)c1ccccc1)[H])(O)[H])[H]
SPLASH splash10-054o-9700000000-fa35a7b5c62b3aa7171e
Source of Spectrum Y-26-995-12
Wiley ID 1390996