| SpectraBase Compound ID | B860BCmrKMj |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-6(9)8-4-3-5-11-7(2)10/h3-5H2,1-2H3,(H,8,9) |
| InChIKey | DPWZYRHWCCZPDJ-UHFFFAOYSA-N |
| Mol Weight | 159.18 g/mol |
| Molecular Formula | C7H13NO3 |
| Exact Mass | 159.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LIxBmdwBQUn |
|---|---|
| Name | 3-Amino-1-propanol, N,o-diacetyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.089543280 u |
| Formula | C7H13NO3 |
| InChI | InChI=1S/C7H13NO3/c1-6(9)8-4-3-5-11-7(2)10/h3-5H2,1-2H3,(H,8,9) |
| InChIKey | DPWZYRHWCCZPDJ-UHFFFAOYSA-N |
| Molecular Weight | 159.185 g/mol |
| SMILES | C(CCOC(C)=O)NC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939204 |