| SpectraBase Compound ID | 44mwgk53tOB |
|---|---|
| InChI | InChI=1S/C19H23N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-9,11,15,21H,1,10H2,2-4H3,(H,20,24)(H,22,23)/t11-,15-/m0/s1 |
| InChIKey | LVPZJIGICMPWFH-NHYWBVRUSA-N |
| Mol Weight | 325.41 g/mol |
| Molecular Formula | C19H23N3O2 |
| Exact Mass | 325.179027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9FPTVERLIez |
|---|---|
| Name | Preechinulin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.179026991 u |
| Formula | C19H23N3O2 |
| InChI | InChI=1S/C19H23N3O2/c1-5-19(3,4)16-13(12-8-6-7-9-14(12)21-16)10-15-18(24)20-11(2)17(23)22-15/h5-9,11,15,21H,1,10H2,2-4H3,(H,20,24)(H,22,23)/t11-,15-/m0/s1 |
| InChIKey | LVPZJIGICMPWFH-NHYWBVRUSA-N |
| Molecular Weight | 325.412 g/mol |
| SMILES | C1(N[C@](C(N[C@]1(CC1=C(NC2=C1C=CC=C2)C(C=C)(C)C)[H])=O)(C)[H])=O |