| SpectraBase Spectrum ID |
CWaKvc2PTIC |
| Name |
5-Methyl-2'-deoxy cytidine, N,o,o'-tri(acetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.137950021 u |
| Formula |
C16H21N3O7 |
| InChI |
InChI=1S/C16H21N3O7/c1-8-6-19(16(23)18-15(8)17-9(2)20)14-5-12(25-11(4)22)13(26-14)7-24-10(3)21/h6,12-14H,5,7H2,1-4H3,(H,17,18,20,23)/t12-,13+,14+/m0/s1 |
| InChIKey |
JHLBBRIYSXGSIW-BFHYXJOUSA-N |
| Molecular Weight |
367.358 g/mol |
| SMILES |
[C@]1(C[C@](N2C(N=C(C(=C2)C)NC(C)=O)=O)(O[C@@]1(COC(C)=O)[H])[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828787 |
