| SpectraBase Compound ID | 2ROAeO1PkXq |
|---|---|
| InChI | InChI=1S/C18H35NO4/c1-5-6-7-8-9-10-11-14-22-16(20)12-13-19-17(21)23-15-18(2,3)4/h5-15H2,1-4H3,(H,19,21) |
| InChIKey | GRIMBKUCYZOBHO-UHFFFAOYSA-N |
| Mol Weight | 329.5 g/mol |
| Molecular Formula | C18H35NO4 |
| Exact Mass | 329.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Ri7yazS63C |
|---|---|
| Name | .beta.-Alanine, N-neopentyloxycarbonyl-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.256608607 u |
| Formula | C18H35NO4 |
| InChI | InChI=1S/C18H35NO4/c1-5-6-7-8-9-10-11-14-22-16(20)12-13-19-17(21)23-15-18(2,3)4/h5-15H2,1-4H3,(H,19,21) |
| InChIKey | GRIMBKUCYZOBHO-UHFFFAOYSA-N |
| Molecular Weight | 329.481 g/mol |
| SMILES | CC(COC(NCCC(OCCCCCCCCC)=O)=O)(C)C |