| SpectraBase Compound ID | 8vb2ZADm2ZF |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-5-6-7-15-8-10-16(11-9-15)17(20)19-14(4)18(21)22-12-13(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,19,20) |
| InChIKey | LWBLODWEZLPHPR-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C18H27NO3 |
| Exact Mass | 305.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B67GVIEzLRJ |
|---|---|
| Name | L-Alanine, N-(4-butylbenzoyl)-, isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.199093730 u |
| Formula | C18H27NO3 |
| InChI | InChI=1S/C18H27NO3/c1-5-6-7-15-8-10-16(11-9-15)17(20)19-14(4)18(21)22-12-13(2)3/h8-11,13-14H,5-7,12H2,1-4H3,(H,19,20) |
| InChIKey | LWBLODWEZLPHPR-UHFFFAOYSA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C1=CC(=CC=C1C(NC(C(OCC(C)C)=O)C)=O)CCCC |