| SpectraBase Compound ID | 4qH6GTtGDF7 |
|---|---|
| InChI | InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,17H,3,5,7-10H2,1-2H3/t17-,19-/m0/s1 |
| InChIKey | OPWFBDDCTNOIJT-HKUYNNGSSA-N |
| Mol Weight | 282.38 g/mol |
| Molecular Formula | C19H22O2 |
| Exact Mass | 282.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fq2k6KrJzFJ |
|---|---|
| Name | Estra-1,3,5(10),8-tetraen-17-one, 3-methoxy- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 282.161979946 u |
| Formula | C19H22O2 |
| InChI | InChI=1S/C19H22O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,17H,3,5,7-10H2,1-2H3/t17-,19-/m0/s1 |
| InChIKey | OPWFBDDCTNOIJT-HKUYNNGSSA-N |
| SMILES | C[C@]12[C@](C3=C(CC2)C2=C(CC3)C=C(C=C2)OC)(CCC1=O)[H] |