| SpectraBase Compound ID | iun1n6Rl1M |
|---|---|
| InChI | InChI=1S/C20H24O4/c1-4-18(14-6-10-16(21)11-7-14)19(5-2)15-8-12-17(13-9-15)24-20(22)23-3/h6-13,18-19,21H,4-5H2,1-3H3 |
| InChIKey | QLLRQUQTSPVRLT-UHFFFAOYSA-N |
| Mol Weight | 328.41 g/mol |
| Molecular Formula | C20H24O4 |
| Exact Mass | 328.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6Crs8bOxLCD |
|---|---|
| Name | Hexestrol, o-methoxycarbonyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.167459249 u |
| Formula | C20H24O4 |
| InChI | InChI=1S/C20H24O4/c1-4-18(14-6-10-16(21)11-7-14)19(5-2)15-8-12-17(13-9-15)24-20(22)23-3/h6-13,18-19,21H,4-5H2,1-3H3 |
| InChIKey | QLLRQUQTSPVRLT-UHFFFAOYSA-N |
| Molecular Weight | 328.408 g/mol |
| SMILES | C(C(CC)C1=CC=C(C=C1)OC(OC)=O)(CC)C1=CC=C(C=C1)O |