| SpectraBase Compound ID | 5AO0T3bkvNT |
|---|---|
| InChI | InChI=1S/C12H21NO3/c1-4-11(14)13-8-7-12(15)16-9-5-6-10(2)3/h4,10H,1,5-9H2,2-3H3,(H,13,14) |
| InChIKey | LGODNLCNMQBMAP-UHFFFAOYSA-N |
| Mol Weight | 227.3 g/mol |
| Molecular Formula | C12H21NO3 |
| Exact Mass | 227.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XbdjWB3AAA |
|---|---|
| Name | .beta.-Alanine, N-acryloyl-, isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.152143537 u |
| Formula | C12H21NO3 |
| InChI | InChI=1S/C12H21NO3/c1-4-11(14)13-8-7-12(15)16-9-5-6-10(2)3/h4,10H,1,5-9H2,2-3H3,(H,13,14) |
| InChIKey | LGODNLCNMQBMAP-UHFFFAOYSA-N |
| Molecular Weight | 227.304 g/mol |
| SMILES | C=CC(NCCC(OCCCC(C)C)=O)=O |