| SpectraBase Compound ID | 85SVKKY7kB3 |
|---|---|
| InChI | InChI=1S/C24H27NO2/c1-15(2)7-6-11-24(4)12-10-19-22-20(13-16(3)23(19)27-24)18-9-8-17(26-5)14-21(18)25-22/h7-10,12-14,25H,6,11H2,1-5H3 |
| InChIKey | JYCMSEXIUYQQTJ-UHFFFAOYSA-N |
| Mol Weight | 361.49 g/mol |
| Molecular Formula | C24H27NO2 |
| Exact Mass | 361.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AbnEa1zSQrC |
|---|---|
| Name | o-Methylmahanine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.204179111 u |
| Formula | C24H27NO2 |
| InChI | InChI=1S/C24H27NO2/c1-15(2)7-6-11-24(4)12-10-19-22-20(13-16(3)23(19)27-24)18-9-8-17(26-5)14-21(18)25-22/h7-10,12-14,25H,6,11H2,1-5H3 |
| InChIKey | JYCMSEXIUYQQTJ-UHFFFAOYSA-N |
| Molecular Weight | 361.485 g/mol |
| SMILES | COC1=CC=2NC=3C4=C(C(C)=CC3C2C=C1)OC(C)(CCC=C(C)C)C=C4 |