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7-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-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-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-5,6,7,8,9,10-hexahydro-2H-1,13,4,7,10-benzodioxatriazacyclopentadecine-3,11(4H,12H)-dione
SpectraBase Compound ID BTbs9NwNIAG
InChI InChI=1S/C24H28N6O4/c31-23-17-33-21-8-4-5-9-22(21)34-18-24(32)26-11-13-29(12-10-25-23)15-20-16-30(28-27-20)14-19-6-2-1-3-7-19/h1-9,16H,10-15,17-18H2,(H,25,31)(H,26,32)
InChIKey POHYAHALCCEEMA-UHFFFAOYSA-N
Mol Weight 464.53 g/mol
Molecular Formula C24H28N6O4
Exact Mass 464.217203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID dGVJMJ6n4M
Name 7-[(1-Benzyl-1H-1,2,3-triazol-4-yl)methyl]-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 C24H28N6O4
InChI InChI=1S/C24H28N6O4/c31-23-17-33-21-8-4-5-9-22(21)34-18-24(32)26-11-13-29(12-10-25-23)15-20-16-30(28-27-20)14-19-6-2-1-3-7-19/h1-9,16H,10-15,17-18H2,(H,25,31)(H,26,32)
InChIKey POHYAHALCCEEMA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.200800612
Molecular Weight 464.526 g/mol
SMILES N1C(COc2ccccc2OCC(NCCN(Cc2nn[n](c2)Cc2ccccc2)CC1)=O)=O
SPLASH splash10-0006-9320100000-a8a21234e4eb37b9e160
Source of Spectrum ASC-351-216-12
Synonyms 7-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)-5,6,7,8,9,10-hexahydro-2H-benzo[b][1,4,7,10,13]dioxatriazacyclopentadecine-3,11(4H,12H)-dione
Wiley ID 1766421