| SpectraBase Compound ID | GOyUKLLVwSe |
|---|---|
| InChI | InChI=1S/C4H9NO2.C4H7NO.H2O/c5-3-1-2-4(6)7;6-4-2-1-3-5-4;/h1-3,5H2,(H,6,7);1-3H2,(H,5,6);1H2 |
| InChIKey | YXYZBYHHEJJWCE-UHFFFAOYSA-N |
| Mol Weight | 206.24 g/mol |
| Molecular Formula | C8H18N2O4 |
| Exact Mass | 206.126657 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3DJbDaLmDVo |
|---|---|
| Name | Butyric acid, 4-amino-, |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 206.126657064 u |
| Formula | C8H18N2O4 |
| InChI | InChI=1S/C4H9NO2.C4H7NO.H2O/c5-3-1-2-4(6)7;6-4-2-1-3-5-4;/h1-3,5H2,(H,6,7);1-3H2,(H,5,6);1H2 |
| InChIKey | YXYZBYHHEJJWCE-UHFFFAOYSA-N |
| Molecular Weight | 206.242 g/mol |
| Nominal Mass | 206 u |
| SMILES | NCCCC(=O)O.O.C1(NCCC1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.98441 |