| SpectraBase Compound ID | CZbrDb0KL3w |
|---|---|
| InChI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3 |
| InChIKey | DNXHEGUUPJUMQT-UHFFFAOYSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C18H22O2 |
| Exact Mass | 270.16198 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9oMfR7BXzNS |
|---|---|
| Name | Estrone |
| Comments | MONAID: JP011410 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H22O2 |
| InChI | InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3 |
| InChIKey | DNXHEGUUPJUMQT-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 270.372 g/mol |
| SMILES | Oc1ccc2c(c1)CCC1C2CCC2(C1CCC2=O)C |
| SPLASH | splash10-00di-0980000000-98d57a435cebf8f954a9 |
| Source of Spectrum | SRH-2022-11410-0 |
| Wiley ID | 1832997 |