![(3s)-Pentanol, 4,4-dimethyl-(2s)-[(tert.butyloxycarbonyl)amino]-](/api/spectrum/3BBbq3BX7HU/structure.png?h=300&w=458 "(3s)-Pentanol, 4,4-dimethyl-(2s)-[(tert.butyloxycarbonyl)amino]-")
| SpectraBase Compound ID | 4vHvH1JJV7D |
|---|---|
| InChI | InChI=1S/C12H25NO3/c1-8(9(14)11(2,3)4)13-10(15)16-12(5,6)7/h8-9,14H,1-7H3,(H,13,15) |
| InChIKey | NGIVTSQPSSMURS-UHFFFAOYSA-N |
| Mol Weight | 231.34 g/mol |
| Molecular Formula | C12H25NO3 |
| Exact Mass | 231.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3BBbq3BX7HU |
|---|---|
| Name | (3S)-Pentanol, 4,4-dimethyl-(2S)-[(tert.butyloxycarbonyl)amino]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.183443666 u |
| Formula | C12H25NO3 |
| InChI | InChI=1S/C12H25NO3/c1-8(9(14)11(2,3)4)13-10(15)16-12(5,6)7/h8-9,14H,1-7H3,(H,13,15) |
| InChIKey | NGIVTSQPSSMURS-UHFFFAOYSA-N |
| Molecular Weight | 231.336 g/mol |
| SMILES | [C@](O)([C@](C)(NC(OC(C)(C)C)=O)[H])(C(C)(C)C)[H] |