| SpectraBase Compound ID | 85lBw6bZjhj |
|---|---|
| InChI | InChI=1S/C19H24O3/c1-19-11-10-17(20)15(16(19)8-9-18(19)21)7-6-13-4-3-5-14(12-13)22-2/h3-5,12,15-16H,6-11H2,1-2H3/t15?,16?,19-/m0/s1 |
| InChIKey | MSUOJYJLUZEGBP-RJYAGPCLSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C19H24O3 |
| Exact Mass | 300.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 94KzRaaUanJ |
|---|---|
| Name | 3-Methoxy-9,10-secoestra-1,3,5(10)-triene-9,17-dione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.172544630 u |
| Formula | C19H24O3 |
| InChI | InChI=1S/C19H24O3/c1-19-11-10-17(20)15(16(19)8-9-18(19)21)7-6-13-4-3-5-14(12-13)22-2/h3-5,12,15-16H,6-11H2,1-2H3/t15?,16?,19-/m0/s1 |
| InChIKey | MSUOJYJLUZEGBP-RJYAGPCLSA-N |
| SMILES | [C@]12(C(C(CCC=3C=C(OC)C=CC3)C(CC1)=O)CCC2=O)C |