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7-(2'-Hydroxy-5'-methylbenzyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione

View entire compound with spectra: 1 MS (GC)

7-(2'-Hydroxy-5'-methylbenzyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
SpectraBase Compound ID LwENcMh8F1J
InChI InChI=1S/C22H27N3O5/c1-16-6-7-18(26)17(12-16)13-25-10-8-23-21(27)14-29-19-4-2-3-5-20(19)30-15-22(28)24-9-11-25/h2-7,12,26H,8-11,13-15H2,1H3,(H,23,27)(H,24,28)
InChIKey YAHFVHMEQZKYBD-UHFFFAOYSA-N
Mol Weight 413.47 g/mol
Molecular Formula C22H27N3O5
Exact Mass 413.195071 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBSdzFQ7Ilm
Name 7-(2'-Hydroxy-5'-methylbenzyl)-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 C22H27N3O5
InChI InChI=1S/C22H27N3O5/c1-16-6-7-18(26)17(12-16)13-25-10-8-23-21(27)14-29-19-4-2-3-5-20(19)30-15-22(28)24-9-11-25/h2-7,12,26H,8-11,13-15H2,1H3,(H,23,27)(H,24,28)
InChIKey YAHFVHMEQZKYBD-UHFFFAOYSA-N
Molecular Weight 413.474 g/mol
SMILES N1CCN(Cc2c(ccc(c2)C)O)CCNC(=O)COc2ccccc2OCC1=O
SPLASH splash10-0006-9320000000-bbd4b073d4a2a575a0cc
Source of Spectrum I-86-431-9
Synonyms 8-[(2-hydroxy-5-methylphenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione 8-[(2-hydroxy-5-methyl-phenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione 8-[(5-methyl-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 1691580