| SpectraBase Compound ID | 1b34gri7TRe |
|---|---|
| InChI | InChI=1S/C16H23N3O2/c1-16-8-9-18(4)14(16)19(5)13-7-6-11(10-12(13)16)21-15(20)17(2)3/h6-7,10,14H,8-9H2,1-5H3 |
| InChIKey | IUHMWLMDASQDJQ-UHFFFAOYSA-N |
| Mol Weight | 289.38 g/mol |
| Molecular Formula | C16H23N3O2 |
| Exact Mass | 289.179027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnNnuSyBvll |
|---|---|
| Name | Eseroline, dimethylcarbamate(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.179026991 u |
| Formula | C16H23N3O2 |
| InChI | InChI=1S/C16H23N3O2/c1-16-8-9-18(4)14(16)19(5)13-7-6-11(10-12(13)16)21-15(20)17(2)3/h6-7,10,14H,8-9H2,1-5H3 |
| InChIKey | IUHMWLMDASQDJQ-UHFFFAOYSA-N |
| SMILES | C1=C(C=C2C(=C1)N(C)C1C2(C)CCN1C)OC(=O)N(C)C |