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ESTRA-1,3,5(10)-TRIENE-16.BETA.-BROMO-3-OL-17-ONE(17-O-METHYLOXIME-3-TRIMETHYLSILYL ETHER)
SpectraBase Compound ID 6J0B5C7pJCB
InChI InChI=1S/C22H32BrNO2Si/c1-22-11-10-17-16-9-7-15(26-27(3,4)5)12-14(16)6-8-18(17)19(22)13-20(23)21(22)24-25-2/h7,9,12,17-20H,6,8,10-11,13H2,1-5H3/b24-21+
InChIKey MDRDUWQVPWBQPG-DARPEHSRSA-N
Mol Weight 450.5 g/mol
Molecular Formula C22H32BrNO2Si
Exact Mass 449.138569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6nAaugwA2jq
Name ESTRA-1,3,5(10)-TRIENE-16.BETA.-BROMO-3-OL-17-ONE(17-O-METHYLOXIME-3-TRIMETHYLSILYL ETHER)
Alternate Name(s) 16-BROMO-3-[(TRIMETHYLSILYL)OXY]ESTRA-1(10),2,4-TRIEN-17-ONE O-METHYLOXIME
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H32BrNO2Si
InChI InChI=1S/C22H32BrNO2Si/c1-22-11-10-17-16-9-7-15(26-27(3,4)5)12-14(16)6-8-18(17)19(22)13-20(23)21(22)24-25-2/h7,9,12,17-20H,6,8,10-11,13H2,1-5H3/b24-21+
InChIKey MDRDUWQVPWBQPG-DARPEHSRSA-N
Nominal Mass 449 u
Owner Database Compilation (C) 2005 Wiley & Sons, Inc.
SMILES C12(C)CCC3C(CCc4cc(O[Si](C)(C)C)ccc34)C2CC(Br)\C1=N\OC
SPLASH splash10-0uxr-5295600000-604ed7939c965c1d93ab
Source File Reference LMCM-73653-088Q
Source of Spectrum Copyright (C) Dr. Makin, London Hospital Medical College, UK