| SpectraBase Spectrum ID |
7q2IWOD2pjY |
| Name |
(1S,3R)-Methyl-2-benzyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22N2O2 |
| InChI |
InChI=1S/C21H22N2O2/c1-14-20-17(16-10-6-7-11-18(16)22-20)12-19(21(24)25-2)23(14)13-15-8-4-3-5-9-15/h3-11,14,19,22H,12-13H2,1-2H3/t14-,19+/m0/s1 |
| InChIKey |
ZZPIZYDWDIBMNG-IFXJQAMLSA-N |
| Instrument Name |
Hewlett Packard 5985B |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1021/np200759h |
| Molecular Weight |
334.419 g/mol |
| Reported Formula |
C21H23N2O2 |
| SMILES |
[nH]1c2ccccc2c2c1[C@@](N([C@](C2)(C(=O)OC)[H])Cc1ccccc1)(C)[H] |
| SPLASH |
splash10-000x-5966000000-8df549e5ce2bff0065f4 |
| Source of Spectrum |
G4-75-SM7-12a |
| Thin-Layer Chromatography |
Rf = 0.72 (silica gel, EtOAc/hexanes, 3:5) |
| Wiley ID |
1854757 |
![(1S,3R)-Methyl-2-benzyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate](/api/spectrum/7q2IWOD2pjY/structure.png?h=300&w=458 "(1S,3R)-Methyl-2-benzyl-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate")
