John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1OMvx43bweY SpectraBase Spectrum ID=1ioFNDJUkp

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EXOGONIC-ACID-PARA-BROMOPHENACYLESTER
SpectraBase Compound ID 1OMvx43bweY
InChI InChI=1S/C18H21BrO5/c1-12-6-8-18(23-12)9-7-15(24-18)10-17(21)22-11-16(20)13-2-4-14(19)5-3-13/h2-5,12,15H,6-11H2,1H3/t12-,15+,18?/m1/s1
InChIKey HVEPVNJDKLSTSN-GTFDWKPMSA-N
Mol Weight 397.27 g/mol
Molecular Formula C18H21BrO5
Exact Mass 396.057235 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ioFNDJUkp
Name EXOGONIC-ACID-PARA-BROMOPHENACYLESTER
Compound Number 4
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H21BrO5
InChI InChI=1S/C18H21BrO5/c1-12-6-8-18(23-12)9-7-15(24-18)10-17(21)22-11-16(20)13-2-4-14(19)5-3-13/h2-5,12,15H,6-11H2,1H3/t12-,15+,18?/m1/s1
InChIKey HVEPVNJDKLSTSN-GTFDWKPMSA-N
Literature Reference Author M.ONO,H.NISHIOKA,T.FUKUSHIMA,H.KUNIMATSU,A.MINE,H.KUBO,K.MIY AHARA
Literature Reference Citation CHEM.PHARM.BULL.,57,262(2009)
Literature Reference DOI 10.1248/cpb.57.262
Molecular Weight 397.266 g/mol
Sample ID 2272
Solvent CDCl3
SpectraBase Batch ID Hpe5e40jzvm