| SpectraBase Compound ID | ZEk9KlacXw |
|---|---|
| InChI | InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1 |
| InChIKey | FAPWYRCQGJNNSJ-UBKPKTQASA-L |
| Mol Weight | 476.5 g/mol |
| Molecular Formula | C18H32CaN2O10 |
| Exact Mass | 476.168286 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FYNbDtKtWnw |
|---|---|
| Name | N-(2,4-dihydroxy-3,3-dimethylbutyryl)-beta-alanine, calcium salt |
| Source of Sample | FLUKA AG, BUCHS, SWITZERLAND |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H32CaN2O10 |
| InChI | InChI=1S/2C9H17NO5.Ca/c2*1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;/h2*7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);/q;;+2/p-2/t2*7-;/m00./s1 |
| InChIKey | FAPWYRCQGJNNSJ-UBKPKTQASA-L |
| Instrument Name | Varian A-60 |
| Sadtler NMR Number | 6501M |
| Solvent | D2O |