| SpectraBase Compound ID | DgUKWwPIpVM |
|---|---|
| InChI | InChI=1S/C18H21NO4/c1-11(20)23-13-2-3-18-4-5-19(17(18)7-13)9-12-6-15-16(8-14(12)18)22-10-21-15/h6,8,13,17H,2-5,7,9-10H2,1H3/t13?,17?,18-/m1/s1 |
| InChIKey | ZCAVIHHEFVPOMX-ZTUNLMCQSA-N |
| Mol Weight | 315.37 g/mol |
| Molecular Formula | C18H21NO4 |
| Exact Mass | 315.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5HcCdA74tw7 |
|---|---|
| Name | o-Acetyldihydrocrinine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.147058156 u |
| Formula | C18H21NO4 |
| InChI | InChI=1S/C18H21NO4/c1-11(20)23-13-2-3-18-4-5-19(17(18)7-13)9-12-6-15-16(8-14(12)18)22-10-21-15/h6,8,13,17H,2-5,7,9-10H2,1H3/t13?,17?,18-/m1/s1 |
| InChIKey | ZCAVIHHEFVPOMX-ZTUNLMCQSA-N |
| SMILES | C12=CC3=C(C=C2[C@@]24C(N(C1)CC4)CC(OC(=O)C)CC2)OCO3 |