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3-(3,5-Dimethyl-pyrazol-1-yl)-2,7,8,9-tetrahydro-2,4,5-triaza-benzo[6,7]cyclohepta[1,2-a]naphthalen-1-one
SpectraBase Compound ID EP2zdjA0dAa
InChI InChI=1S/C21H19N5O/c1-12-10-13(2)26(25-12)21-23-19-18(20(27)24-21)17-15(11-22-19)8-5-7-14-6-3-4-9-16(14)17/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,22,23,24,27)
InChIKey IMQZBXWIWBOCHE-UHFFFAOYSA-N
Mol Weight 357.42 g/mol
Molecular Formula C21H19N5O
Exact Mass 357.15896 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1TUfvdu5eZk
Name 3-(3,5-Dimethyl-pyrazol-1-yl)-2,7,8,9-tetrahydro-2,4,5-triaza-benzo[6,7]cyclohepta[1,2-a]naphthalen-1-one
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19N5O
InChI InChI=1S/C21H19N5O/c1-12-10-13(2)26(25-12)21-23-19-18(20(27)24-21)17-15(11-22-19)8-5-7-14-6-3-4-9-16(14)17/h3-4,6,9-11H,5,7-8H2,1-2H3,(H,22,23,24,27)
InChIKey IMQZBXWIWBOCHE-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0010.d03
Molecular Weight 357.417 g/mol
SMILES N1C(=Nc2ncc3c(c2C1=O)-c1c(CCC3)cccc1)[n]1nc(cc1C)C
SPLASH splash10-0a6u-9204000000-abac03760df58796d1ef
Source of Spectrum ARK-2009-39-14
Wiley ID 1869862