| SpectraBase Compound ID | BZGUcSPGVkY |
|---|---|
| InChI | InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m0/s1 |
| InChIKey | IMSSROKUHAOUJS-WRTQPQOASA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C21H26O2 |
| Exact Mass | 310.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BnUlfcgTgvV |
|---|---|
| Name | MESTRANOL |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C21H26O2 |
| InChI | InChI=1S/C21H26O2/c1-4-21(22)12-10-19-18-7-5-14-13-15(23-3)6-8-16(14)17(18)9-11-20(19,21)2/h1,6,8,13,17-19,22H,5,7,9-12H2,2-3H3/t17-,18-,19+,20+,21+/m0/s1 |
| InChIKey | IMSSROKUHAOUJS-WRTQPQOASA-N |
| Instrument Name | Bruker WH-90 |
| Literature Reference | V.S.KARTASHOV, S.V.SHORSHNEV, A.P.ARZAMASTSEV (1992) Khim.Farm.Zhurn.(Russ.Lang.): v.26, N7, 95-98. |
| NMR Standard | CDCL3 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3/CD4O |