| SpectraBase Compound ID | ENrZ3wm8KqB |
|---|---|
| InChI | InChI=1S/C17H24O3S/c1-10-11(2)16-14(12(3)15(10)19-13(4)18)6-7-17(5,20-16)8-9-21/h21H,6-9H2,1-5H3 |
| InChIKey | BZMFPCPZSSVHGT-UHFFFAOYSA-N |
| Mol Weight | 308.44 g/mol |
| Molecular Formula | C17H24O3S |
| Exact Mass | 308.144616 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | PDTZUv9SXJ |
|---|---|
| Name | 6-Acetoxy-3,4-dihydro-2-(2-mercaptoethyl)-2,5,7,8-tetramethyl-2H-1-benzopyran |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.144615804 u |
| Formula | C17H24O3S |
| InChI | InChI=1S/C17H24O3S/c1-10-11(2)16-14(12(3)15(10)19-13(4)18)6-7-17(5,20-16)8-9-21/h21H,6-9H2,1-5H3 |
| InChIKey | BZMFPCPZSSVHGT-UHFFFAOYSA-N |
| Molecular Weight | 308.436 g/mol |
| SMILES | C1(CCC=2C(O1)=C(C(=C(C2C)OC(=O)C)C)C)(C)CCS |