| SpectraBase Compound ID | FyQM2J9hklE |
|---|---|
| InChI | InChI=1S/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2/t2*16-;/m00./s1 |
| InChIKey | BTTZKEFKFLGNEC-WUBQCMAVSA-L |
| Mol Weight | 723.6 g/mol |
| Molecular Formula | C36H28CaCl2N4O6 |
| Exact Mass | 722.101181 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8e33dLYb9Ea |
|---|---|
| Name | N-(p-chlorobenzoyl)-L-tryptophan, calcium salt |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C36H28CaCl2N4O6 |
| InChI | InChI=1S/2C18H15ClN2O3.Ca/c2*19-13-7-5-11(6-8-13)17(22)21-16(18(23)24)9-12-10-20-15-4-2-1-3-14(12)15;/h2*1-8,10,16,20H,9H2,(H,21,22)(H,23,24);/q;;+2/p-2/t2*16-;/m00./s1 |
| InChIKey | BTTZKEFKFLGNEC-WUBQCMAVSA-L |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 45733M |
| Solvent | DMSO-d6 |