| SpectraBase Compound ID | HEISOYIAx9P |
|---|---|
| InChI | InChI=1S/C21H32N2O3/c1-4-8-20(25)22-12-7-14-23-13-6-10-17(23)15-18(24)21-16(2)9-5-11-19(21)26-3/h5,9,11,17H,4,6-8,10,12-15H2,1-3H3,(H,22,25) |
| InChIKey | ROCCDFQVMSAIDM-UHFFFAOYSA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C21H32N2O3 |
| Exact Mass | 360.241293 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AmAV05w1Twz |
|---|---|
| Name | 1-(3-Butanoylaminopropyl)-2-(2-methoxy-6-methylbenzoylmethylene)pyrrolidine (o-methyldinorperipentadenine) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.241292895 u |
| Formula | C21H32N2O3 |
| InChI | InChI=1S/C21H32N2O3/c1-4-8-20(25)22-12-7-14-23-13-6-10-17(23)15-18(24)21-16(2)9-5-11-19(21)26-3/h5,9,11,17H,4,6-8,10,12-15H2,1-3H3,(H,22,25) |
| InChIKey | ROCCDFQVMSAIDM-UHFFFAOYSA-N |
| Molecular Weight | 360.498 g/mol |
| SMILES | C(C=1C(OC)=CC=CC1C)(CC1N(CCCNC(=O)CCC)CCC1)=O |