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[2AR-(2A-ALPHA,4A-BETA,6A-ALPHA,7-BETA,10A-ALPHA,10Br(*))]-3,3,4A,7,10A-PENTAMETHYL-5-METHYLENEDODECAHYDROPENTALENO-[1,6-CD]-AZULEN-6(5H)-ONE

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[2AR-(2A-ALPHA,4A-BETA,6A-ALPHA,7-BETA,10A-ALPHA,10Br(*))]-3,3,4A,7,10A-PENTAMETHYL-5-METHYLENEDODECAHYDROPENTALENO-[1,6-CD]-AZULEN-6(5H)-ONE
SpectraBase Compound ID LI1Nj5XdtSn
InChI InChI=1S/C21H32O/c1-13-8-7-10-19(5)11-9-15-18(3,4)12-20(6)14(2)17(22)16(13)21(15,19)20/h13,15-16H,2,7-12H2,1,3-6H3/t13-,15-,16+,19+,20+,21?/m1/s1
InChIKey RNFAUGXCCGODDC-SUQGQCQTSA-N
Mol Weight 300.5 g/mol
Molecular Formula C21H32O
Exact Mass 300.245316 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KJfLn3yaZb1
Name [2AR-(2A-ALPHA,4A-BETA,6A-ALPHA,7-BETA,10A-ALPHA,10Br(*))]-3,3,4A,7,10A-PENTAMETHYL-5-METHYLENEDODECAHYDROPENTALENO-[1,6-CD]-AZULEN-6(5H)-ONE
Compound Number 21
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H32O
InChI InChI=1S/C21H32O/c1-13-8-7-10-19(5)11-9-15-18(3,4)12-20(6)14(2)17(22)16(13)21(15,19)20/h13,15-16H,2,7-12H2,1,3-6H3/t13-,15-,16+,19+,20+,21?/m1/s1
InChIKey RNFAUGXCCGODDC-SUQGQCQTSA-N
Literature Reference Author A.F.O.CHIN,L.R.HANTON,R.T.WEAVERS
Literature Reference Citation AUSTR.J.CHEM.,50,279(1997)
Literature Reference DOI 10.1071/C96104
Molecular Weight 300.484 g/mol
Solvent CDCl3
Source File Reference UWCS15869