| SpectraBase Compound ID | 3LjZgsybclt |
|---|---|
| InChI | InChI=1S/C21H25NO3/c1-13(2)22-10-7-14-11-17(24-3)20(25-4)19-18(14)16(22)12-21(19)8-5-15(23)6-9-21/h5-6,8-9,11,13,16H,7,10,12H2,1-4H3/t16-/m1/s1 |
| InChIKey | YXLFVSNTALXOBX-MRXNPFEDSA-N |
| Mol Weight | 339.44 g/mol |
| Molecular Formula | C21H25NO3 |
| Exact Mass | 339.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LRngpkGNlVW |
|---|---|
| Name | N-Isopropylstepharine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.183443666 u |
| Formula | C21H25NO3 |
| InChI | InChI=1S/C21H25NO3/c1-13(2)22-10-7-14-11-17(24-3)20(25-4)19-18(14)16(22)12-21(19)8-5-15(23)6-9-21/h5-6,8-9,11,13,16H,7,10,12H2,1-4H3/t16-/m1/s1 |
| InChIKey | YXLFVSNTALXOBX-MRXNPFEDSA-N |
| Molecular Weight | 339.435 g/mol |
| SMILES | [C@@]12([H])CC3(C=CC(=O)C=C3)C=3C1=C(CCN2C(C)C)C=C(OC)C3OC |