| SpectraBase Compound ID | 1m4qetOWr0E |
|---|---|
| InChI | InChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m1/s1 |
| InChIKey | JWBMVCAZXJMSOX-ZCFIWIBFSA-N |
| Mol Weight | 147.22 g/mol |
| Molecular Formula | C7H17NO2 |
| Exact Mass | 147.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CBApXj6tbSC |
|---|---|
| Name | (2R)-3-(Tert-butylamino)propane-1,2-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 147.125928789 u |
| Formula | C7H17NO2 |
| InChI | InChI=1S/C7H17NO2/c1-7(2,3)8-4-6(10)5-9/h6,8-10H,4-5H2,1-3H3/t6-/m1/s1 |
| InChIKey | JWBMVCAZXJMSOX-ZCFIWIBFSA-N |
| SMILES | C([C@](CO)(O)[H])NC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96397 |