| SpectraBase Compound ID | J2RPw732w4r |
|---|---|
| InChI | InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1 |
| InChIKey | GZYFIMLSHBLMKF-REOHCLBHSA-N |
| Mol Weight | 147.13 g/mol |
| Molecular Formula | C4H9N3O3 |
| Exact Mass | 147.064391 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GlGhwIMlV23 |
|---|---|
| Name | Albizziin |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.064391159 u |
| Formula | C4H9N3O3 |
| InChI | InChI=1S/C4H9N3O3/c5-2(3(8)9)1-7-4(6)10/h2H,1,5H2,(H,8,9)(H3,6,7,10)/t2-/m0/s1 |
| InChIKey | GZYFIMLSHBLMKF-REOHCLBHSA-N |
| SMILES | C(NC[C@@](C(=O)O)(N)[H])(=O)N |
| Spectrum/Structure Validation Score (Raman) | 0.823785 |