John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=GqydJk7S0Tg SpectraBase Spectrum ID=1l6KMcqbyvM

(accessed ).
Piperazine estrone sulfate
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 436.203194 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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
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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
SpectraBase Batch ID KvIXah99k40
Synonyms Piperazine estrone sulfate
Technique ATR-Neat