| SpectraBase Compound ID | 880Yf0ITUXd |
|---|---|
| InChI | InChI=1S/C15H16N4O/c1-16-15-17-12(14(20)19(15)3)8-10-9-18(2)13-7-5-4-6-11(10)13/h4-9H,1-3H3,(H,16,17)/b12-8- |
| InChIKey | BBCALIHRTPPUQE-WQLSENKSSA-N |
| Mol Weight | 268.32 g/mol |
| Molecular Formula | C15H16N4O |
| Exact Mass | 268.132411 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LklJNvuEeF5 |
|---|---|
| Name | 1-Methyl-2-demethyl-3'-N-methylaplysinopsin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.132411150 u |
| Formula | C15H16N4O |
| InChI | InChI=1S/C15H16N4O/c1-16-15-17-12(14(20)19(15)3)8-10-9-18(2)13-7-5-4-6-11(10)13/h4-9H,1-3H3,(H,16,17)/b12-8- |
| InChIKey | BBCALIHRTPPUQE-WQLSENKSSA-N |
| SMILES | C=1(N(C(\C(N1)=C\C1=CN(C)C=2C1=CC=CC2)=O)C)NC |