John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=FX2jDUGDCIv SpectraBase Spectrum ID=28Ir4RB5T93

(accessed ).
4-BETA,6-ALPHA-DIBROMO-3A-BETA,4,5,6,7,7A-BETA-HEXAHYDRO-2-PHENYL-1,3-BENZOXAZOL-7-BETA-YL-BENZOATE
SpectraBase Compound ID FX2jDUGDCIv
InChI InChI=1S/C20H17Br2NO3/c21-14-11-15(22)17(26-20(24)13-9-5-2-6-10-13)18-16(14)23-19(25-18)12-7-3-1-4-8-12/h1-10,14-18H,11H2/t14-,15-,16+,17+,18+/m0/s1
InChIKey SRBUKMJHMDYLOG-QXDIGNSFSA-N
Mol Weight 479.17 g/mol
Molecular Formula C20H17Br2NO3
Exact Mass 476.957516 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 28Ir4RB5T93
Name 4-BETA,6-ALPHA-DIBROMO-3A-BETA,4,5,6,7,7A-BETA-HEXAHYDRO-2-PHENYL-1,3-BENZOXAZOL-7-BETA-YL-BENZOATE
Compound Number 11
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Formula C20H17Br2NO3
InChI InChI=1S/C20H17Br2NO3/c21-14-11-15(22)17(26-20(24)13-9-5-2-6-10-13)18-16(14)23-19(25-18)12-7-3-1-4-8-12/h1-10,14-18H,11H2/t14-,15-,16+,17+,18+/m0/s1
InChIKey SRBUKMJHMDYLOG-QXDIGNSFSA-N
Literature Reference Author S.ALLEMANN,P.VOGEL
Literature Reference Citation HELV.CHIM.ACTA,77,1(1994)
Literature Reference DOI 10.1002/hlca.19940770103
Molecular Weight 479.168 g/mol
Solvent CDCl3
Source File Reference UWVP4613
SpectraBase Batch ID Am7bDYjhOwc