| SpectraBase Compound ID | 1yDo6neiSzp |
|---|---|
| InChI | InChI=1S/C17H23ClN2O3.C4H4O4/c1-19-15-9-16(22-3)13(8-14(15)18)17(21)23-12-6-10-4-5-11(7-12)20(10)2;5-3(6)1-2-4(7)8/h8-12,19H,4-7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | OLDLYBGURRCMCS-BTJKTKAUSA-N |
| Mol Weight | 454.91 g/mol |
| Molecular Formula | C21H27ClN2O7 |
| Exact Mass | 454.150679 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7jnfSMQDiUu |
|---|---|
| Name | 5-chloro-4-(methylamino)-o-anisic acid, tropan-3-yl ester, maleate(1:1)(salt) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H27ClN2O7 |
| InChI | InChI=1S/C17H23ClN2O3.C4H4O4/c1-19-15-9-16(22-3)13(8-14(15)18)17(21)23-12-6-10-4-5-11(7-12)20(10)2;5-3(6)1-2-4(7)8/h8-12,19H,4-7H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1- |
| InChIKey | OLDLYBGURRCMCS-BTJKTKAUSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49202M |
| Solvent | DMSO-d6 |