| SpectraBase Compound ID | HhYghU4xJ9 |
|---|---|
| InChI | InChI=1S/C16H16N2O3S/c1-20-12-6-4-11(5-7-12)14-9-15(21-18-14)16(19)17-10-13-3-2-8-22-13/h2-8,15H,9-10H2,1H3,(H,17,19) |
| InChIKey | CQVQGOPFOPTWHP-UHFFFAOYSA-N |
| Mol Weight | 316.38 g/mol |
| Molecular Formula | C16H16N2O3S |
| Exact Mass | 316.088164 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 | tbDmVXRNg3 |
|---|---|
| Name | 5-Isoxazolecarboxamide, 4,5-dihydro-3-(4-methoxyphenyl)-N-(2-thienylmethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.088163554 u |
| Formula | C16H16N2O3S |
| InChI | InChI=1S/C16H16N2O3S/c1-20-12-6-4-11(5-7-12)14-9-15(21-18-14)16(19)17-10-13-3-2-8-22-13/h2-8,15H,9-10H2,1H3,(H,17,19) |
| InChIKey | CQVQGOPFOPTWHP-UHFFFAOYSA-N |
| SMILES | N(C(C1ON=C(C1)C=1C=CC(=CC1)OC)=O)CC=1SC=CC1 |