| SpectraBase Compound ID | E1uEF582nIs |
|---|---|
| InChI | InChI=1S/C16H14O3S/c1-10-11(2)16(17)19-15-7-13(3-4-14(10)15)18-8-12-5-6-20-9-12/h3-7,9H,8H2,1-2H3 |
| InChIKey | CFPSJXFDNZPPTH-UHFFFAOYSA-N |
| Mol Weight | 286.35 g/mol |
| Molecular Formula | C16H14O3S |
| Exact Mass | 286.066365 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcrVZSj5R9S |
|---|---|
| Name | 2H-1-Benzopyran-2-one, 3,4-dimethyl-7-(3-thienylmethoxy)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.066365482 u |
| Formula | C16H14O3S |
| InChI | InChI=1S/C16H14O3S/c1-10-11(2)16(17)19-15-7-13(3-4-14(10)15)18-8-12-5-6-20-9-12/h3-7,9H,8H2,1-2H3 |
| InChIKey | CFPSJXFDNZPPTH-UHFFFAOYSA-N |
| SMILES | C1(=C(C(OC=2C=C(C=CC12)OCC1=CSC=C1)=O)C)C |