![(phenylmethyl) N-[(2S)-1-oxidanylpentan-2-yl]carbamate](/api/spectrum/JTr5qFPoigR/structure.png?h=300&w=458 "(phenylmethyl) N-[(2S)-1-oxidanylpentan-2-yl]carbamate")
| SpectraBase Compound ID | AoWQUZU43UY |
|---|---|
| InChI | InChI=1S/C13H19NO3/c1-2-6-12(9-15)14-13(16)17-10-11-7-4-3-5-8-11/h3-5,7-8,12,15H,2,6,9-10H2,1H3,(H,14,16)/t12-/m0/s1 |
| InChIKey | ROMHIJGISWRVJP-LBPRGKRZSA-N |
| Mol Weight | 237.3 g/mol |
| Molecular Formula | C13H19NO3 |
| Exact Mass | 237.136493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JTr5qFPoigR |
|---|---|
| Name | (Phenylmethyl) N-[(2S)-1-oxidanylpentan-2-yl]carbamate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.136493473 u |
| Formula | C13H19NO3 |
| InChI | InChI=1S/C13H19NO3/c1-2-6-12(9-15)14-13(16)17-10-11-7-4-3-5-8-11/h3-5,7-8,12,15H,2,6,9-10H2,1H3,(H,14,16)/t12-/m0/s1 |
| InChIKey | ROMHIJGISWRVJP-LBPRGKRZSA-N |
| Molecular Weight | 237.299 g/mol |
| SMILES | C(N[C@](CO)(CCC)[H])(=O)OCC1=CC=CC=C1 |