| SpectraBase Compound ID | ANZWJLgSlvZ |
|---|---|
| InChI | InChI=1S/C20H24N2O3.C3H4O4/c1-21-14-5-6-15(21)12-17(11-14)25-20(23)18-8-7-16(13-19(18)24-2)22-9-3-4-10-22;4-2(5)1-3(6)7/h3-4,7-10,13-15,17H,5-6,11-12H2,1-2H3;1H2,(H,4,5)(H,6,7)/t14-,15+,17-; |
| InChIKey | KHOAYXLGILGONA-MOCRVECLSA-N |
| Mol Weight | 444.48 g/mol |
| Molecular Formula | C23H28N2O7 |
| Exact Mass | 444.189651 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KBJABu7ii63 |
|---|---|
| Name | 4-(pyrrol-1-yl)-o-anisic acid, tropan-3-yl ester, malonate(1.1)(salt) |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H28N2O7 |
| InChI | InChI=1S/C20H24N2O3.C3H4O4/c1-21-14-5-6-15(21)12-17(11-14)25-20(23)18-8-7-16(13-19(18)24-2)22-9-3-4-10-22;4-2(5)1-3(6)7/h3-4,7-10,13-15,17H,5-6,11-12H2,1-2H3;1H2,(H,4,5)(H,6,7)/t14-,15+,17-; |
| InChIKey | KHOAYXLGILGONA-MOCRVECLSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 49204M |
| Solvent | DMSO-d6 |