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1-Acetyl-6-(t-butyl)-3-(1'-methyl-2'-phthalimidoethyl)-1H-pyrazolo[5,1-c]-1,2,4-triazole

View entire compound with spectra: 1 MS (GC)

1-Acetyl-6-(t-butyl)-3-(1'-methyl-2'-phthalimidoethyl)-1H-pyrazolo[5,1-c]-1,2,4-triazole
SpectraBase Compound ID K8Y2FAKpKyj
InChI InChI=1S/C21H23N5O3/c1-12(11-24-19(28)14-8-6-7-9-15(14)20(24)29)18-23-25(13(2)27)17-10-16(21(3,4)5)22-26(17)18/h6-10,12H,11H2,1-5H3
InChIKey QSXDHCYZRBNVIN-UHFFFAOYSA-N
Mol Weight 393.45 g/mol
Molecular Formula C21H23N5O3
Exact Mass 393.18009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5LsRXRw3dJx
Name 1-Acetyl-6-(t-butyl)-3-(1'-methyl-2'-phthalimidoethyl)-1H-pyrazolo[5,1-c]-1,2,4-triazole
Alternate Name(s) 2-[2-(1-acetyl-6-tert-butyl-1H-pyrazolo[5,1-c][1,2,4]triazol-3-yl)propyl]-1H-isoindole-1,3(2H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N5O3
InChI InChI=1S/C21H23N5O3/c1-12(11-24-19(28)14-8-6-7-9-15(14)20(24)29)18-23-25(13(2)27)17-10-16(21(3,4)5)22-26(17)18/h6-10,12H,11H2,1-5H3
InChIKey QSXDHCYZRBNVIN-UHFFFAOYSA-N
Molecular Weight 393.447 g/mol
SMILES c12[n](C(C(CN3C(c4ccccc4C3=O)=O)C)=NN2C(=O)C)nc(c1)C(C)(C)C
SPLASH splash10-0udi-0049000000-00261344f13c3f34bdb9
Source of Spectrum U-1994-1042-6
Wiley ID 766136