| SpectraBase Compound ID | G2iUVfiJvZh |
|---|---|
| InChI | InChI=1S/C18H27N3O2/c1-6-21(7-2)17(22)23-13-8-9-15-14(12-13)18(3)10-11-19(4)16(18)20(15)5/h8-9,12,16H,6-7,10-11H2,1-5H3 |
| InChIKey | OSPTZMBDYKZRKQ-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 | L1HO1C7es4u |
|---|---|
| Name | Eseroline, N,N-diethylcarbamate(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/c1-6-21(7-2)17(22)23-13-8-9-15-14(12-13)18(3)10-11-19(4)16(18)20(15)5/h8-9,12,16H,6-7,10-11H2,1-5H3 |
| InChIKey | OSPTZMBDYKZRKQ-UHFFFAOYSA-N |
| Molecular Weight | 317.433 g/mol |
| SMILES | C1=C(C=CC2=C1C1(CCN(C1N2C)C)C)OC(=O)N(CC)CC |