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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

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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
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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46raLWi1G9
Name 7-(2'-Hydroxy-5'-fluorobenzyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. 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
Molecular Weight 417.437 g/mol
SMILES N1CCN(Cc2c(ccc(c2)F)O)CCNC(=O)COc2ccccc2OCC1=O
SPLASH splash10-0ar0-9420000000-7db22bc23737a288ec3b
Source of Spectrum I-86-432-12
Synonyms 8-[(5-fluoro-2-hydroxyphenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione 8-[(5-fluoro-2-hydroxy-phenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione 8-[(5-fluoranyl-2-oxidanyl-phenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione
Wiley ID 1691577