| SpectraBase Compound ID | 1Vsw6bIqkXK |
|---|---|
| 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/h3,5,10,16-17,19-20H,2,4,6-9H2,1H3/t16?,17-,18?/m0/s1 |
| InChIKey | UWYDUSMQFLTKBQ-ADKAHSJRSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C18H22O2 |
| Exact Mass | 270.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5rbhBiJGVNh |
|---|---|
| Name | 17B-Dihydro-D8,9-dehydroestone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.161979946 u |
| 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/h3,5,10,16-17,19-20H,2,4,6-9H2,1H3/t16?,17-,18?/m0/s1 |
| InChIKey | UWYDUSMQFLTKBQ-ADKAHSJRSA-N |
| Molecular Weight | 270.372 g/mol |
| SMILES | C12=C(C3=CC=C(C=C3CC2)O)CCC2(C1CC[C@@]2(O)[H])C |