| SpectraBase Compound ID | Jh5M4KICTe7 |
|---|---|
| InChI | InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/t18?,19?,20?,21?,22-,23-/m0/s1 |
| InChIKey | KIQQMECNKUGGKA-QBFRCJLJSA-N |
| Mol Weight | 369.51 g/mol |
| Molecular Formula | C23H31NO3 |
| Exact Mass | 369.230394 g/mol |
Transmission Infrared (IR) Spectrum
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| SpectraBase Spectrum ID | LcgL0Xr2C9j |
|---|---|
| Name | Norgestimate |
| Source of Sample | Steraloids Inc. |
| Catalog Number | E3530-000 |
| Lot Number | C258 |
| CAS Registry Number | 35189-28-7 |
| Classification | Estrone type |
| Copyright | Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H31NO3 |
| InChI | InChI=1S/C23H31NO3/c1-4-22-12-10-19-18-9-7-17(24-26)14-16(18)6-8-20(19)21(22)11-13-23(22,5-2)27-15(3)25/h2,14,18-21,26H,4,6-13H2,1,3H3/t18?,19?,20?,21?,22-,23-/m0/s1 |
| InChIKey | KIQQMECNKUGGKA-QBFRCJLJSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | ON=C1\C=C\2CCC3C4[C@](CCC3C2CC1)([C@](CC4)(OC(C)=O)C#C)CC |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | 4-Estren-17α- ethynyl-18-homo-17β-ol-3-one(-)-acetate-oxime |
| Technique | KBr0 |