| SpectraBase Compound ID | 1c4BWxgdtXL |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-4-5-6-15-7-9-16(10-8-15)18(21)19-12-11-17(20)22-13-14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,21) |
| InChIKey | JKJDPQSTDFTUNG-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 | AbDCLZnMr32 |
|---|---|
| Name | .beta.-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/c1-4-5-6-15-7-9-16(10-8-15)18(21)19-12-11-17(20)22-13-14(2)3/h7-10,14H,4-6,11-13H2,1-3H3,(H,19,21) |
| InChIKey | JKJDPQSTDFTUNG-UHFFFAOYSA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCC(C)C)=O)=O)CCCC |