| SpectraBase Compound ID | 5FvAAVkFJTq |
|---|---|
| InChI | InChI=1S/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | BPGIZMWGUQVFSE-XVFCMESISA-N |
| Mol Weight | 261.67 g/mol |
| Molecular Formula | C9H12ClN3O4 |
| Exact Mass | 261.051634 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | HpSUDUIhbE5 |
|---|---|
| Name | 5'-Chloro-5'-deoxycytidine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.051633574 u |
| Formula | C9H12ClN3O4 |
| InChI | InChI=1S/C9H12ClN3O4/c10-3-4-6(14)7(15)8(17-4)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1 |
| InChIKey | BPGIZMWGUQVFSE-XVFCMESISA-N |
| SMILES | NC=1C=CN([C@@]2(O[C@@]([C@]([C@]2(O)[H])(O)[H])(CCl)[H])[H])C(N1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.971957 |