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2-BENZYL-6-BROMO-3,3A-BIS-(METHOXYCARBONYL)-1,3A-DIHYDROAZULENE
SpectraBase Compound ID C1lS7pu2rSX
InChI InChI=1S/C21H19BrO4/c1-25-19(23)18-15(12-14-6-4-3-5-7-14)13-16-8-9-17(22)10-11-21(16,18)20(24)26-2/h3-11H,12-13H2,1-2H3
InChIKey GUJHIKXKTNNMPG-UHFFFAOYSA-N
Mol Weight 415.28 g/mol
Molecular Formula C21H19BrO4
Exact Mass 414.046672 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6q11N0RzoRd
Name 2-BENZYL-6-BROMO-3,3A-BIS-(METHOXYCARBONYL)-1,3A-DIHYDROAZULENE
Compound Number 28B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H19BrO4
InChI InChI=1S/C21H19BrO4/c1-25-19(23)18-15(12-14-6-4-3-5-7-14)13-16-8-9-17(22)10-11-21(16,18)20(24)26-2/h3-11H,12-13H2,1-2H3
InChIKey GUJHIKXKTNNMPG-UHFFFAOYSA-N
Literature Reference Author J.WARKENTIN,J.M.R.WOOLLARD
Literature Reference Citation CAN.J.CHEM.,75,289(1997)
Literature Reference DOI 10.1139/v97-033
Molecular Weight 415.283 g/mol
Solvent CDCl3
Source File Reference UWCP5818