| SpectraBase Compound ID | 9KeB2y0tKkc |
|---|---|
| InChI | InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-12-17-27-22(25)18(2)23-21(24)19-13-15-20(26-3)16-14-19/h13-16,18H,4-12,17H2,1-3H3,(H,23,24) |
| InChIKey | RZBZNVSVSJJRRP-UHFFFAOYSA-N |
| Mol Weight | 377.5 g/mol |
| Molecular Formula | C22H35NO4 |
| Exact Mass | 377.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JGnwW23pTtN |
|---|---|
| Name | D-Alanine, N-(4-anisoyl)-, undecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 377.256608607 u |
| Formula | C22H35NO4 |
| InChI | InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-12-17-27-22(25)18(2)23-21(24)19-13-15-20(26-3)16-14-19/h13-16,18H,4-12,17H2,1-3H3,(H,23,24) |
| InChIKey | RZBZNVSVSJJRRP-UHFFFAOYSA-N |
| Molecular Weight | 377.525 g/mol |
| SMILES | C(NC(=O)C=1C=CC(OC)=CC1)(C(OCCCCCCCCCCC)=O)C |