| SpectraBase Compound ID | CodRnqT7FWa |
|---|---|
| InChI | InChI=1S/C9H17NO3/c1-7(11)10-6-5-8(12)13-9(2,3)4/h5-6H2,1-4H3,(H,10,11) |
| InChIKey | INIIDHXJMONHDV-UHFFFAOYSA-N |
| Mol Weight | 187.24 g/mol |
| Molecular Formula | C9H17NO3 |
| Exact Mass | 187.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8aQsVWi7g8F |
|---|---|
| Name | H-beta-ala-Otbu, ac |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 187.120843408 u |
| Formula | C9H17NO3 |
| InChI | InChI=1S/C9H17NO3/c1-7(11)10-6-5-8(12)13-9(2,3)4/h5-6H2,1-4H3,(H,10,11) |
| InChIKey | INIIDHXJMONHDV-UHFFFAOYSA-N |
| Molecular Weight | 187.239 g/mol |
| SMILES | C(CCNC(C)=O)(=O)OC(C)(C)C |