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2,2,7,7-TETRABROMO-17-BETA-ACETOXYANDROST-4-EN-3,6-DIONE
SpectraBase Compound ID 6xQEA0GvTvl
InChI InChI=1S/C21H24Br4O4/c1-10(26)29-15-5-4-11-16-12(6-7-18(11,15)2)19(3)9-20(22,23)14(27)8-13(19)17(28)21(16,24)25/h8,11-12,15-16H,4-7,9H2,1-3H3/t11-,12-,15-,16-,18-,19+/m0/s1
InChIKey OGQBNHNZIAICPL-WTHOOUQUSA-N
Mol Weight 660.03 g/mol
Molecular Formula C21H24Br4O4
Exact Mass 655.840811 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B1T9KKRaRiE
Name 2,2,7,7-TETRABROMO-17-BETA-ACETOXYANDROST-4-EN-3,6-DIONE
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24Br4O4
InChI InChI=1S/C21H24Br4O4/c1-10(26)29-15-5-4-11-16-12(6-7-18(11,15)2)19(3)9-20(22,23)14(27)8-13(19)17(28)21(16,24)25/h8,11-12,15-16H,4-7,9H2,1-3H3/t11-,12-,15-,16-,18-,19+/m0/s1
InChIKey OGQBNHNZIAICPL-WTHOOUQUSA-N
Literature Reference Author T.SHIMIZU,A.TOBARI,J.KOYANAGI,M.KAWASE,S.SAITO
Literature Reference Citation CHEM.PHARM.BULL.,49,23(2001)
Literature Reference DOI 10.1248/cpb.49.23
Molecular Weight 660.035 g/mol
Solvent CDCl3
Source File Reference UWLU31704