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2H-Naphth[2',1':2,3]oxepino[4,5-c]pyrazole, 3,3a,4,5-tetrahydro-2-phenyl-
SpectraBase Compound ID A77H2QDH5PS
InChI InChI=1S/C21H18N2O/c1-2-7-17(8-3-1)23-14-16-12-13-24-19-11-10-15-6-4-5-9-18(15)20(19)21(16)22-23/h1-11,16H,12-14H2
InChIKey MYWHUXRBYLXBLM-UHFFFAOYSA-N
Mol Weight 314.39 g/mol
Molecular Formula C21H18N2O
Exact Mass 314.141913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XzkfHkrLx7
Name 2H-Naphth[2',1':2,3]oxepino[4,5-c]pyrazole, 3,3a,4,5-tetrahydro-2-phenyl-
Alternate Name(s) 11-phenyl-1,11,12,12a-tetrahydro-2H-naphtho[2',1':2,3]oxepino[4,5-c]pyrazole 2-Phenyl-3,3a,4,5-tetrahydro-2H-naphtho[2',1':2,3]oxepino[4,5-c]pyrazol
CAS Registry Number 104057-44-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N2O
InChI InChI=1S/C21H18N2O/c1-2-7-17(8-3-1)23-14-16-12-13-24-19-11-10-15-6-4-5-9-18(15)20(19)21(16)22-23/h1-11,16H,12-14H2
InChIKey MYWHUXRBYLXBLM-UHFFFAOYSA-N
Molecular Weight 314.388 g/mol
SMILES C12=NN(CC1CCOc1ccc3c(c21)cccc3)c1ccccc1
SPLASH splash10-03di-2019000000-4dc77e54b7540a46cc7c
Source of Spectrum H-68-1296-8
Wiley ID 1315478