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Estra-1,3,5(10)-trien-17-one, 16,16-difluoro-3-methoxy-
SpectraBase Compound ID 5X9jU722PcL
InChI InChI=1S/C19H22F2O2/c1-18-8-7-14-13-6-4-12(23-2)9-11(13)3-5-15(14)16(18)10-19(20,21)17(18)22/h4,6,9,14-16H,3,5,7-8,10H2,1-2H3
InChIKey JINUXTFUOFFYGB-UHFFFAOYSA-N
Mol Weight 320.38 g/mol
Molecular Formula C19H22F2O2
Exact Mass 320.158786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CXYGADzJkHc
Name Estra-1,3,5(10)-trien-17-one, 16,16-difluoro-3-methoxy-
CAS Registry Number 2991-05-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22F2O2
InChI InChI=1S/C19H22F2O2/c1-18-8-7-14-13-6-4-12(23-2)9-11(13)3-5-15(14)16(18)10-19(20,21)17(18)22/h4,6,9,14-16H,3,5,7-8,10H2,1-2H3
InChIKey JINUXTFUOFFYGB-UHFFFAOYSA-N
Molecular Weight 320.380 g/mol
SMILES CC12CCC3c4ccc(cc4CCC3C2CC(C1=O)(F)F)OC
SPLASH splash10-00di-2913000000-667926c33f6a756eb30c
Source of Spectrum O7-0-367-0
Synonyms 16,16-Difluoro-3-methoxyestra-1,3,5(10)-trien-17-one 16,16-bis(fluoranyl)-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one 16,16-difluoro-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one 16,16-Difluoroestrone 3-methyl ether 16,16-Difluoroestrone methyl ether
Wiley ID 1320235