| SpectraBase Spectrum ID |
IboPzcEyzNR |
| Name |
Estropipate |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
23806 |
| Lot Number |
0519020-2 |
| CAS Registry Number |
7280-37-7 |
| Cell Type |
Capillary tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 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 |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1299 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N1CCNCC1.OS(Oc1ccc2c(c1)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CCC2=O)[H])C)[H])[H])(=O)=O |
| Scans Performed |
2112 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Piperazine estrone sulfate |
| Technique |
FT-Raman |
