| SpectraBase Compound ID | 1fhAtPprFRx |
|---|---|
| InChI | InChI=1S/C21H29N2O2.ClH/c1-4-11-12-9-15-18-21(13-7-5-6-8-14(13)22(18)2)10-16(17(12)19(21)24)23(15,3)20(11)25;/h5-8,11-12,15-20,24-25H,4,9-10H2,1-3H3;1H/q+1;/p-1/t11-,12-,15+,16+,17?,18+,19?,20+,21-,23+;/m1./s1 |
| InChIKey | ZPPXJZMCZXDHPK-RLGPPJONSA-M |
| Mol Weight | 376.93 g/mol |
| Molecular Formula | C21H29ClN2O2 |
| Exact Mass | 376.191756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5p8WKt483i0 |
|---|---|
| Name | N-(B)-METHYLISOAJMALINE |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H29ClN2O2 |
| InChI | InChI=1S/C21H29N2O2.ClH/c1-4-11-12-9-15-18-21(13-7-5-6-8-14(13)22(18)2)10-16(17(12)19(21)24)23(15,3)20(11)25;/h5-8,11-12,15-20,24-25H,4,9-10H2,1-3H3;1H/q+1;/p-1/t11-,12-,15+,16+,17?,18+,19?,20+,21-,23+;/m1./s1 |
| InChIKey | ZPPXJZMCZXDHPK-RLGPPJONSA-M |
| Literature Reference Author | A.ITOH,T.KUMASHIRO,M.YAMAGUCHI,N.NAGAKURA,Y.MIZUSHINA,T.NISH I,T.TANAHASHI |
| Literature Reference Citation | J.NAT.PROD.,68,848(2005) |
| Literature Reference DOI | 10.1021/np058007n |
| Molecular Weight | 376.926 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMZ10622 |