| SpectraBase Compound ID | 5FUmcWG9wQU |
|---|---|
| InChI | InChI=1S/C17H25N3O2/c1-11(2)18-16(21)22-12-6-7-14-13(10-12)17(3)8-9-19(4)15(17)20(14)5/h6-7,10-11,15H,8-9H2,1-5H3,(H,18,21) |
| InChIKey | UBUVSWQRLSPXCW-UHFFFAOYSA-N |
| Mol Weight | 303.41 g/mol |
| Molecular Formula | C17H25N3O2 |
| Exact Mass | 303.194677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LI51NrKSMq3 |
|---|---|
| Name | Eseroline, isopropylcarbamate(ester) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.194677055 u |
| Formula | C17H25N3O2 |
| InChI | InChI=1S/C17H25N3O2/c1-11(2)18-16(21)22-12-6-7-14-13(10-12)17(3)8-9-19(4)15(17)20(14)5/h6-7,10-11,15H,8-9H2,1-5H3,(H,18,21) |
| InChIKey | UBUVSWQRLSPXCW-UHFFFAOYSA-N |
| SMILES | C1=C(C=CC2=C1C1(CCN(C1N2C)C)C)OC(=O)NC(C)C |