| SpectraBase Compound ID | GqydJk7S0Tg |
|---|---|
| InChI | InChI=1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1 |
| InChIKey | HZEQBCVBILBTEP-ZFINNJDLSA-N |
| Mol Weight | 436.57 g/mol |
| Molecular Formula | C22H32N2O5S |
| Exact Mass | 436.203193 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | 1l6KMcqbyvM |
|---|---|
| Name | Estropipate |
| Source of Sample | Cayman Chemical Company |
| Catalog Number | 23806 |
| Lot Number | 0519020-2 |
| Accessory | DurasamplIR II |
| Apodization Function | Norton-Beer, medium |
| CAS Registry Number | 7280-37-7 |
| Copyright | Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H32N2O5S |
| IUPAC Name | 3-(Sulfooxy)-estra-1,3,5(10)-trien-17-one, compd. with piperazine |
| InChI | InChI=1S/C18H22O5S.C4H10N2/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1 |
| InChIKey | HZEQBCVBILBTEP-ZFINNJDLSA-N |
| Instrument Name | Bio-Rad FTS |
| SMILES | N1CCNCC1.OS(Oc1ccc2c(c1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H])(=O)=O |
| Scan Speed (number) | 5 |
| Source of Spectrum | Forensic Spectral Research |
| Synonyms | Piperazine estrone sulfate |
| Technique | ATR-Neat |