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Estrone benzoate

View entire compound with spectra: 4 FTIR, and 1 Raman

Estrone benzoate
SpectraBase Compound ID 3BkHiLQTFUO
InChI InChI=1S/C25H26O3/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/h2-6,8,10,15,20-22H,7,9,11-14H2,1H3/t20-,21-,22+,25+/m1/s1
InChIKey HKUKRSLIEVXDMS-APDHKMKFSA-N
Mol Weight 374.48 g/mol
Molecular Formula C25H26O3
Exact Mass 374.188195 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID HfX3xtNeQpC
Name Estrone benzoate
Source of Sample FLUKA CHEMIE AG, BUCHS, SWITZERLAND
CAS Registry Number 2393-53-5
Comments NIOSH= KG87500
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H26O3
InChI InChI=1S/C25H26O3/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/h2-6,8,10,15,20-22H,7,9,11-14H2,1H3/t20-,21-,22+,25+/m1/s1
InChIKey HKUKRSLIEVXDMS-APDHKMKFSA-N
Molecular Weight 374.48
Synonyms 3-HYDROXYESTRA-1,3,5(10)-TRIEN-17-ONE, BENZOATE
Technique FILM (CAST FROM CHCl3)