| SpectraBase Compound ID | KpMXANpQE7J |
|---|---|
| InChI | InChI=1S/C8H9N3O2S/c1-5-13-7(4-14-5)11-3-2-6(9)10-8(11)12/h2-3,7H,1,4H2,(H2,9,10,12) |
| InChIKey | WKLCHXJPTODRSM-UHFFFAOYSA-N |
| Mol Weight | 211.24 g/mol |
| Molecular Formula | C8H9N3O2S |
| Exact Mass | 211.041548 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ABm3VJwW8wT |
|---|---|
| Name | Lamivudine -H2O P435 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.041547714 u |
| Formula | C8H9N3O2S |
| InChI | InChI=1S/C8H9N3O2S/c1-5-13-7(4-14-5)11-3-2-6(9)10-8(11)12/h2-3,7H,1,4H2,(H2,9,10,12) |
| InChIKey | WKLCHXJPTODRSM-UHFFFAOYSA-N |
| Molecular Weight | 211.239 g/mol |
| SMILES | C1(OC(=C)SC1)N1C=CC(=NC1=O)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922597 |