| SpectraBase Compound ID | 3tDvrbKCb4m |
|---|---|
| InChI | InChI=1S/C12H25NO3/c1-8(2)13(9(3)4)12(15)16-11(6)7-10(5)14/h8-11,14H,7H2,1-6H3/t10-,11-/m1/s1 |
| InChIKey | LYJIQTZFUHMKCF-GHMZBOCLSA-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 | 9zTAQKMb92X |
|---|---|
| Name | (2R,4R)-4-Hydroxypentan-2-yl diisopropylcarbamate |
| 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(2)13(9(3)4)12(15)16-11(6)7-10(5)14/h8-11,14H,7H2,1-6H3/t10-,11-/m1/s1 |
| InChIKey | LYJIQTZFUHMKCF-GHMZBOCLSA-N |
| Molecular Weight | 231.336 g/mol |
| SMILES | C([C@](OC(N(C(C)C)C(C)C)=O)(C)[H])[C@](O)(C)[H] |