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3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-methoxyisoquinolin-1(2H)-one
SpectraBase Compound ID 5J8SZZsBT5s
InChI InChI=1S/C26H38N4O2/c1-4-6-8-10-11-13-23-17-21-18-24(32-3)14-15-25(21)26(31)30(23)20-22-19-29(28-27-22)16-12-9-7-5-2/h14-15,17-19H,4-13,16,20H2,1-3H3
InChIKey VEVPLSCSPJOONG-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H38N4O2
Exact Mass 438.299476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 443Rt44Yzo
Name 3-n-Heptyl-2-[(1-n-hexyl-1H-1,2,3-triazol-4-yl)methyl]-6-methoxyisoquinolin-1(2H)-one
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.299476478 u
Formula C26H38N4O2
InChI InChI=1S/C26H38N4O2/c1-4-6-8-10-11-13-23-17-21-18-24(32-3)14-15-25(21)26(31)30(23)20-22-19-29(28-27-22)16-12-9-7-5-2/h14-15,17-19H,4-13,16,20H2,1-3H3
InChIKey VEVPLSCSPJOONG-UHFFFAOYSA-N
Instrument Name Jeol AccuTOF
Ionization Type EI
Literature Reference DOI 10.1002/anie.201801324
Molecular Weight 438.616 g/mol
Reported Formula C26H38N4O2
SMILES C1=CC2=C(C=C1OC)C=C(N(C2=O)CC1=CN(N=N1)CCCCCC)CCCCCCC
SPLASH splash10-000i-0469700000-64ab95efbb4f450d0816
Source of Spectrum ACI-57-SM11-3ga (DOI: 10.1002/anie.201801324)
Wiley ID 1891078