| SpectraBase Compound ID | CVVidTGDhij |
|---|---|
| InChI | InChI=1S/C14H20N2O/c1-14-7-8-15(2)13(14)16(3)12-6-5-10(17-4)9-11(12)14/h5-6,9,13H,7-8H2,1-4H3 |
| InChIKey | WKJDLYATGMSVOQ-UHFFFAOYSA-N |
| Mol Weight | 232.33 g/mol |
| Molecular Formula | C14H20N2O |
| Exact Mass | 232.157563 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DuUqmHX6U7s |
|---|---|
| Name | Esermethole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 232.157563271 u |
| Formula | C14H20N2O |
| InChI | InChI=1S/C14H20N2O/c1-14-7-8-15(2)13(14)16(3)12-6-5-10(17-4)9-11(12)14/h5-6,9,13H,7-8H2,1-4H3 |
| InChIKey | WKJDLYATGMSVOQ-UHFFFAOYSA-N |
| Molecular Weight | 232.327 g/mol |
| SMILES | C1=C(C=CC2=C1C1(CCN(C1N2C)C)C)OC |