| SpectraBase Compound ID | EqsLWUFNFSE |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-3-5-7-15-8-10-16(11-9-15)18(21)19-13-12-17(20)22-14-6-4-2/h8-11H,3-7,12-14H2,1-2H3,(H,19,21) |
| InChIKey | QBGXDOHLUUAEKU-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 | Go2X0nOsMhT |
|---|---|
| Name | .beta.-Alanine, N-(4-butylbenzoyl)-, butyl 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/c1-3-5-7-15-8-10-16(11-9-15)18(21)19-13-12-17(20)22-14-6-4-2/h8-11H,3-7,12-14H2,1-2H3,(H,19,21) |
| InChIKey | QBGXDOHLUUAEKU-UHFFFAOYSA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCCCC)=O)=O)CCCC |