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2',3',5'-Trideoxy-5'-(methoxycarbonyl)-1'-A-carbathymidine;methyl-cis-(1,2,3,4-tetrahydro-5-methyl-2,4-dioxopyrimidin-1-yl)-cyclopentaneacetate
SpectraBase Compound ID Azn9QCQML9w
InChI InChI=1S/C13H18N2O4/c1-8-7-15(13(18)14-12(8)17)10-4-3-9(5-10)6-11(16)19-2/h7,9-10H,3-6H2,1-2H3,(H,14,17,18)/t9-,10+/m1/s1
InChIKey LMXPYWMZVAWTGV-ZJUUUORDSA-N
Mol Weight 266.3 g/mol
Molecular Formula C13H18N2O4
Exact Mass 266.126657 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ayv7Qd2bN3s
Name 2',3',5'-Trideoxy-5'-(methoxycarbonyl)-1'-A-carbathymidine;methyl-cis-(1,2,3,4-tetrahydro-5-methyl-2,4-dioxopyrimidin-1-yl)-cyclopentaneacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.126657064 u
Formula C13H18N2O4
InChI InChI=1S/C13H18N2O4/c1-8-7-15(13(18)14-12(8)17)10-4-3-9(5-10)6-11(16)19-2/h7,9-10H,3-6H2,1-2H3,(H,14,17,18)/t9-,10+/m1/s1
InChIKey LMXPYWMZVAWTGV-ZJUUUORDSA-N
Molecular Weight 266.297 g/mol
SMILES C1(NC(C(=CN1[C@@]1(C[C@](CC(=O)OC)(CC1)[H])[H])C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957053