| SpectraBase Compound ID | GPUYAuNxS0B |
|---|---|
| InChI | InChI=1S/C12H17NO4/c1-12(2)16-10(14)9(11(15)17-12)8-6-4-3-5-7-13-8/h13H,3-7H2,1-2H3 |
| InChIKey | IBOQRIWQBFOIGL-UHFFFAOYSA-N |
| Mol Weight | 239.27 g/mol |
| Molecular Formula | C12H17NO4 |
| Exact Mass | 239.115758 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gty2qD4nwW |
|---|---|
| Name | hexahydro-2H-azepine-deltasquare,alpha-malonic acid, cyclic isopropylidene ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17NO4 |
| InChI | InChI=1S/C12H17NO4/c1-12(2)16-10(14)9(11(15)17-12)8-6-4-3-5-7-13-8/h13H,3-7H2,1-2H3 |
| InChIKey | IBOQRIWQBFOIGL-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43432M |
| Solvent | CDCl3 |