| SpectraBase Compound ID | 2MTGg3B8nSn |
|---|---|
| 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+/m1/s1 |
| InChIKey | IMSSROKUHAOUJS-MJCUULBUSA-N |
| Mol Weight | 310.44 g/mol |
| Molecular Formula | C21H26O2 |
| Exact Mass | 310.19328 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CyVkCOT2zh6 |
|---|---|
| Name | Mestranol |
| Source of Sample | Steraloids Inc. |
| Catalog Number | E1570-000 |
| Lot Number | 1723 |
| CAS Registry Number | 72-33-3 |
| Classification | gonadal, estrogenic |
| Copyright | Copyright © 2013-2024 John Wiley & Sons, Inc. 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+/m1/s1 |
| InChIKey | IMSSROKUHAOUJS-MJCUULBUSA-N |
| Raman Corrections | Referenced to internal white light source; 180 Degree backscatter |
| Raman Laser Source | Nd:YAG |
| Sadtler IR Number | DW1017 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Mestranol; 1,3,5(10)-Estratrien-17a-ethynyl-3,17b-diol 3-methyl ether |
| Technique | FT-Raman |