Wiley SpectraBase; SpectraBase Compound ID=16KRFAQv8f SpectraBase Spectrum ID=AdUzoXWcgqF
http://spectrabase.com/spectrum/AdUzoXWcgqF (accessed Sep 23, 2020).

17β-Estradiol 3-benzoate
SpectraBase Compound ID 16KRFAQv8f
InChI InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
InChIKey UYIFTLBWAOGQBI-BZDYCCQFSA-N
Mol Weight 376.5 g/mol
Molecular Formula C25H28O3
Exact Mass 376.203845 g/mol

Raman Spectrum

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Raman Spectrum

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SpectraBase Spectrum ID AdUzoXWcgqF
SpectraBase Batch ID Gfb8VABabKE
Name 17β-Estradiol 3-benzoate
Source of Sample Steraloids Inc.
Catalog Number E0970-000
Lot Number H421
CAS Registry Number 50-50-0
Classification Gonadal, Estrogenic
Compound Type Pure
Copyright Copyright © 2012-2020 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28O3
InChI InChI=1S/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
InChIKey UYIFTLBWAOGQBI-BZDYCCQFSA-N
Raman Corrections Referenced to internal white light source; 180 Degree backscatter
Raman Laser Source Nd: YAG
Raman Laser Wavelength 1064
Sadtler IR Number DW1005
Source of Spectrum Forensic Spectral Research
SpectraBase Compound ID 16KRFAQv8f
Synonyms 17beta-Estradiol 3-benzoate
Technique FT-Raman