| SpectraBase Compound ID | FQwlGerYY7b |
|---|---|
| InChI | InChI=1S/C25H30O2/c1-25-14-13-21-20-10-8-19(27-16-17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(25)11-12-24(25)26/h2-6,8,10,15,21-24,26H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,25+/m1/s1 |
| InChIKey | KTONJCQNAMVMHS-VAFBSOEGSA-N |
| Mol Weight | 362.51 g/mol |
| Molecular Formula | C25H30O2 |
| Exact Mass | 362.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KJXYMPzUHCl |
|---|---|
| Name | 3-(Phenylmethoxy)estra-1,3,5(10)-trien-17.beta.-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.224580204 u |
| Formula | C25H30O2 |
| InChI | InChI=1S/C25H30O2/c1-25-14-13-21-20-10-8-19(27-16-17-5-3-2-4-6-17)15-18(20)7-9-22(21)23(25)11-12-24(25)26/h2-6,8,10,15,21-24,26H,7,9,11-14,16H2,1H3/t21-,22-,23+,24+,25+/m1/s1 |
| InChIKey | KTONJCQNAMVMHS-VAFBSOEGSA-N |
| Molecular Weight | 362.513 g/mol |
| SMILES | C1(=CC=CC=C1)COC1=CC2=C(C=C1)[C@@]1([C@]([C@]3([C@](C)(CC1)[C@@](O)(CC3)[H])[H])(CC2)[H])[H] |