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5-Amino-1-[(2',3',5'-tris<Benzoyloxy>-.beta.-D-ribosyl)carbamoyl]-1H-1,2,4-triazole
SpectraBase Compound ID FcDjMefAcOs
InChI InChI=1S/C29H25N5O8/c30-28-31-17-32-34(28)29(38)33-24-23(42-27(37)20-14-8-3-9-15-20)22(41-26(36)19-12-6-2-7-13-19)21(40-24)16-39-25(35)18-10-4-1-5-11-18/h1-15,17,21-24H,16H2,(H,33,38)(H2,30,31,32)
InChIKey TVHNDISXBOSAJP-UHFFFAOYSA-N
Mol Weight 571.55 g/mol
Molecular Formula C29H25N5O8
Exact Mass 571.170313 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Bitd8yXLHDU
Name 5-Amino-1-[(2',3',5'-tris-.beta.-D-ribosyl)carbamoyl]-1H-1,2,4-triazole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H25N5O8
InChI InChI=1S/C29H25N5O8/c30-28-31-17-32-34(28)29(38)33-24-23(42-27(37)20-14-8-3-9-15-20)22(41-26(36)19-12-6-2-7-13-19)21(40-24)16-39-25(35)18-10-4-1-5-11-18/h1-15,17,21-24H,16H2,(H,33,38)(H2,30,31,32)
InChIKey TVHNDISXBOSAJP-UHFFFAOYSA-N
Molecular Weight 571.546 g/mol
SMILES N(C1C(C(OC(=O)c2ccccc2)C(O1)COC(=O)c1ccccc1)OC(=O)c1ccccc1)C([n]1c(ncn1)N)=O
SPLASH splash10-006t-0000960000-643bfce8d523e0af106c
Source of Spectrum G-69-915-13
Wiley ID 1559633