| SpectraBase Compound ID | 73SaVsJqjU |
|---|---|
| InChI | InChI=1S/C18H27N3O2/c1-17(2,3)19-16(22)23-12-7-8-14-13(11-12)18(4)9-10-20(5)15(18)21(14)6/h7-8,11,15H,9-10H2,1-6H3,(H,19,22) |
| InChIKey | AFSDRTXSPIZEMA-UHFFFAOYSA-N |
| Mol Weight | 317.43 g/mol |
| Molecular Formula | C18H27N3O2 |
| Exact Mass | 317.210327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AuoCcsia0oV |
|---|---|
| Name | Eseroline, tertbutylcarbamate(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 317.210327119 u |
| Formula | C18H27N3O2 |
| InChI | InChI=1S/C18H27N3O2/c1-17(2,3)19-16(22)23-12-7-8-14-13(11-12)18(4)9-10-20(5)15(18)21(14)6/h7-8,11,15H,9-10H2,1-6H3,(H,19,22) |
| InChIKey | AFSDRTXSPIZEMA-UHFFFAOYSA-N |
| Molecular Weight | 317.433 g/mol |
| SMILES | C1=C(C=CC2=C1C1(CCN(C1N2C)C)C)OC(=O)NC(C)(C)C |