| SpectraBase Compound ID | KiNr2RNlaJW |
|---|---|
| InChI | InChI=1S/C23H36N2O3/c1-4-5-6-13-22(27)24-14-9-16-25-15-8-11-19(25)17-20(26)23-18(2)10-7-12-21(23)28-3/h7,10,12,19H,4-6,8-9,11,13-17H2,1-3H3,(H,24,27) |
| InChIKey | HIKBQYAVBGAYLG-UHFFFAOYSA-N |
| Mol Weight | 388.6 g/mol |
| Molecular Formula | C23H36N2O3 |
| Exact Mass | 388.272593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ZhvkC5L81l |
|---|---|
| Name | o-Methyl-peripentadenine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.272593024 u |
| Formula | C23H36N2O3 |
| InChI | InChI=1S/C23H36N2O3/c1-4-5-6-13-22(27)24-14-9-16-25-15-8-11-19(25)17-20(26)23-18(2)10-7-12-21(23)28-3/h7,10,12,19H,4-6,8-9,11,13-17H2,1-3H3,(H,24,27) |
| InChIKey | HIKBQYAVBGAYLG-UHFFFAOYSA-N |
| Molecular Weight | 388.552 g/mol |
| SMILES | C(C=1C(OC)=CC=CC1C)(CC1N(CCCNC(=O)CCCCC)CCC1)=O |