| SpectraBase Compound ID | FCcBYSf9uzp |
|---|---|
| InChI | InChI=1S/C15H21NO3/c1-3-4-11-19-14(17)9-10-16-15(18)13-8-6-5-7-12(13)2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18) |
| InChIKey | HZJQISTWCBUYRZ-UHFFFAOYSA-N |
| Mol Weight | 263.34 g/mol |
| Molecular Formula | C15H21NO3 |
| Exact Mass | 263.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JUFAFBrdDHy |
|---|---|
| Name | .beta.-Alanine, N-(2-methylbenzoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.152143537 u |
| Formula | C15H21NO3 |
| InChI | InChI=1S/C15H21NO3/c1-3-4-11-19-14(17)9-10-16-15(18)13-8-6-5-7-12(13)2/h5-8H,3-4,9-11H2,1-2H3,(H,16,18) |
| InChIKey | HZJQISTWCBUYRZ-UHFFFAOYSA-N |
| Molecular Weight | 263.337 g/mol |
| SMILES | C1(=CC=CC=C1C(NCCC(OCCCC)=O)=O)C |