| SpectraBase Compound ID | 5YfMwoO3hH2 |
|---|---|
| InChI | InChI=1S/C18H23NO3/c1-21-15-6-3-11-9-14-13-5-4-12(20)10-18(13,7-8-19-14)16(11)17(15)22-2/h3,6,13-14,19H,4-5,7-10H2,1-2H3/t13?,14-,18+/m1/s1 |
| InChIKey | IHOKRGVBZLYIRN-HJFZTSBYSA-N |
| Mol Weight | 301.39 g/mol |
| Molecular Formula | C18H23NO3 |
| Exact Mass | 301.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2aTTuVsJKZW |
|---|---|
| Name | Morphinan-6-one, 3,4-dimethoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.167793602 u |
| Formula | C18H23NO3 |
| InChI | InChI=1S/C18H23NO3/c1-21-15-6-3-11-9-14-13-5-4-12(20)10-18(13,7-8-19-14)16(11)17(15)22-2/h3,6,13-14,19H,4-5,7-10H2,1-2H3/t13?,14-,18+/m1/s1 |
| InChIKey | IHOKRGVBZLYIRN-HJFZTSBYSA-N |
| SMILES | C1=CC2=C(C(=C1OC)OC)[C@]13C([C@@](C2)(NCC3)[H])CCC(C1)=O |