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Capaurimine mono(4-bromo-benzoate)

View entire compound with spectra: 1 NMR

Capaurimine mono(4-bromo-benzoate)
SpectraBase Compound ID IZSPh9wNz22
InChI InChI=1S/C27H26BrNO6/c1-32-22-13-17-10-11-29-14-19-16(12-20(29)23(17)24(30)26(22)34-3)6-9-21(25(19)33-2)35-27(31)15-4-7-18(28)8-5-15/h4-9,13,20,30H,10-12,14H2,1-3H3
InChIKey GHPBMUBUGNXCIU-UHFFFAOYSA-N
Mol Weight 540.41 g/mol
Molecular Formula C27H26BrNO6
Exact Mass 539.094351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWbeCizF3RA
Name Capaurimine mono(4-bromo-benzoate)
CAS Registry Number 62860-19-9
Comments NEVA-NV-21
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C27H26BrNO6
InChI InChI=1S/C27H26BrNO6/c1-32-22-13-17-10-11-29-14-19-16(12-20(29)23(17)24(30)26(22)34-3)6-9-21(25(19)33-2)35-27(31)15-4-7-18(28)8-5-15/h4-9,13,20,30H,10-12,14H2,1-3H3
InChIKey GHPBMUBUGNXCIU-UHFFFAOYSA-N
Instrument Name see comment
Literature Reference N. Takao, K. Iwasa, Chem. Pharm. Bull. 25, 1426 (1977).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3