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 |