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METHYL-(3A-alpha,5A-beta,6-beta,6A-beta,6B-beta)-6-BROMO-2,2-DIMETHYL-3A,6,6A,6B-TETRAHYDRO-5AH-CYCLOPROPA-[E]-1,3-BENZODIOXOLE-CARBOXYLIC-ACID

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METHYL-(3A-alpha,5A-beta,6-beta,6A-beta,6B-beta)-6-BROMO-2,2-DIMETHYL-3A,6,6A,6B-TETRAHYDRO-5AH-CYCLOPROPA-[E]-1,3-BENZODIOXOLE-CARBOXYLIC-ACID
SpectraBase Compound ID 2BSIEPaaC0c
InChI InChI=1S/C12H15BrO4/c1-11(2)16-7-5-4-6-8(9(7)17-11)12(6,13)10(14)15-3/h4-9H,1-3H3/t6-,7-,8-,9-,12+/m1/s1
InChIKey SQFHQBJBUZAXRF-QFQOQTIOSA-N
Mol Weight 303.15 g/mol
Molecular Formula C12H15BrO4
Exact Mass 302.015372 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZ3NbGc0lce
Name METHYL-(3A-alpha,5A-beta,6-beta,6A-beta,6B-beta)-6-BROMO-2,2-DIMETHYL-3A,6,6A,6B-TETRAHYDRO-5AH-CYCLOPROPA-[E]-1,3-BENZODIOXOLE-CARBOXYLIC-ACID
Compound Number 11
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H15BrO4/c1-11(2)16-7-5-4-6-8(9(7)17-11)12(6,13)10(14)15-3/h4-9H,1-3H3/t6-,7-,8-,9-,12+/m1/s1
InChIKey SQFHQBJBUZAXRF-QFQOQTIOSA-N
Literature Reference M.G.BANWELL,M.P.COLLIS,M.F.MACKAY,S.L.RICHARDS J.CHEM.SOC.PERKIN-1,1913(1993)
Solvent Chloroform-d