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7-(5-FLUORO-2-HYDROXYBENZYL)-5,6,7,8,9,10-HEXAHYDRO-2-H-1,13,4,7,10-BENZODIOXATRIAZACYCLOPENTADECINE-3,11-(4-H,12-H)-DIONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

7-(5-FLUORO-2-HYDROXYBENZYL)-5,6,7,8,9,10-HEXAHYDRO-2-H-1,13,4,7,10-BENZODIOXATRIAZACYCLOPENTADECINE-3,11-(4-H,12-H)-DIONE
SpectraBase Compound ID 4A4igZfEaEe
InChI InChI=1S/C21H24FN3O5/c22-16-5-6-17(26)15(11-16)12-25-9-7-23-20(27)13-29-18-3-1-2-4-19(18)30-14-21(28)24-8-10-25/h1-6,11,26H,7-10,12-14H2,(H,23,27)(H,24,28)
InChIKey PQNUPIWMHWACLR-UHFFFAOYSA-N
Mol Weight 417.44 g/mol
Molecular Formula C21H24FN3O5
Exact Mass 417.169999 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8u4xtxqBjRI
Name 7-(5-FLUORO-2-HYDROXYBENZYL)-5,6,7,8,9,10-HEXAHYDRO-2-H-1,13,4,7,10-BENZODIOXATRIAZACYCLOPENTADECINE-3,11-(4-H,12-H)-DIONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H24FN3O5
InChI InChI=1S/C21H24FN3O5/c22-16-5-6-17(26)15(11-16)12-25-9-7-23-20(27)13-29-18-3-1-2-4-19(18)30-14-21(28)24-8-10-25/h1-6,11,26H,7-10,12-14H2,(H,23,27)(H,24,28)
InChIKey PQNUPIWMHWACLR-UHFFFAOYSA-N
Literature Reference Author H.SHARGI,R.KHALIFEH
Literature Reference Citation CAN.J.CHEM.,86,426(2008)
Literature Reference DOI 10.1139/v08-026
Solvent CDCl3
Source File Reference UWMZ46114