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7-(3'-Chloro-6'-hydroxy-2',4'-dimethylbenzyl)-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-(3'-Chloro-6'-hydroxy-2',4'-dimethylbenzyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
SpectraBase Compound ID 7ENQx7rCBeZ
InChI InChI=1S/C23H28ClN3O5/c1-15-11-18(28)17(16(2)23(15)24)12-27-9-7-25-21(29)13-31-19-5-3-4-6-20(19)32-14-22(30)26-8-10-27/h3-6,11,28H,7-10,12-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey GSLVMATXDHTNLU-UHFFFAOYSA-N
Mol Weight 461.95 g/mol
Molecular Formula C23H28ClN3O5
Exact Mass 461.171749 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1jR0uMUq9I
Name 7-(3'-Chloro-6'-hydroxy-2',4'-dimethylbenzyl)-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
Alternate Name(s) 8-[(3-chloro-6-hydroxy-2,4-dimethylphenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione 8-[(3-chloro-6-hydroxy-2,4-dimethyl-phenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione 8-[(3-chloranyl-2,4-dimethyl-6-oxidanyl-phenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(19),15,17-triene-4,12-dione
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Formula C23H28ClN3O5
InChI InChI=1S/C23H28ClN3O5/c1-15-11-18(28)17(16(2)23(15)24)12-27-9-7-25-21(29)13-31-19-5-3-4-6-20(19)32-14-22(30)26-8-10-27/h3-6,11,28H,7-10,12-14H2,1-2H3,(H,25,29)(H,26,30)
InChIKey GSLVMATXDHTNLU-UHFFFAOYSA-N
Molecular Weight 461.946 g/mol
SMILES Oc1cc(c(c(c1CN1CCNC(=O)COc2ccccc2OCC(NCC1)=O)C)Cl)C
SPLASH splash10-0aor-9620000000-b2b04d01b13b53d6b71b
Source of Spectrum I-86-432-15
Wiley ID 1691574