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6-Azauridine, 2',3',5'-tri-o-acetyl-4-thio-
SpectraBase Compound ID 3Z7EkV1zwGR
InChI InChI=1S/C14H17N3O8S/c1-6(18)22-5-9-11(23-7(2)19)12(24-8(3)20)13(25-9)17-14(21)16-10(26)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,26)
InChIKey PZKMCJFYHILVJG-UHFFFAOYSA-N
Mol Weight 387.36 g/mol
Molecular Formula C14H17N3O8S
Exact Mass 387.073636 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ffg9H2nlFy9
Name 6-Azauridine, 2',3',5'-tri-o-acetyl-4-thio-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 387.073635685 u
Formula C14H17N3O8S
InChI InChI=1S/C14H17N3O8S/c1-6(18)22-5-9-11(23-7(2)19)12(24-8(3)20)13(25-9)17-14(21)16-10(26)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,26)
InChIKey PZKMCJFYHILVJG-UHFFFAOYSA-N
Molecular Weight 387.363 g/mol
SMILES C1(C(C(COC(C)=O)OC1N1C(NC(C=N1)=S)=O)OC(=O)C)OC(=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.963714