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4-[(3-methyl-4-phenyl-1H-pyrazolyl)diazenyl]-4a,8a-methano-1(2H)-naphthalenone
SpectraBase Compound ID DMyQGGYn3V
InChI InChI=1S/C21H18N4O/c1-15-17(16-7-3-2-4-8-16)13-25(23-15)24-22-18-9-10-19(26)21-12-6-5-11-20(18,21)14-21/h2-9,11-13H,10,14H2,1H3/b24-22+
InChIKey CPQTWMZRXWKPTD-ZNTNEXAZSA-N
Mol Weight 342.4 g/mol
Molecular Formula C21H18N4O
Exact Mass 342.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A8IM2pnKo8Y
Name 4-[(3-methyl-4-phenyl-1H-pyrazolyl)diazenyl]-4a,8a-methano-1(2H)-naphthalenone
Alternate Name(s) 5-[(E)-2-(3-methyl-4-phenyl-1H-pyrazol-1-yl)diazen-1-yl]tricyclo[4.4.1.0(1,6)]undeca-4,7,9-trien-2-one
CAS Registry Number 115408-37-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O
InChI InChI=1S/C21H18N4O/c1-15-17(16-7-3-2-4-8-16)13-25(23-15)24-22-18-9-10-19(26)21-12-6-5-11-20(18,21)14-21/h2-9,11-13H,10,14H2,1H3/b24-22+
InChIKey CPQTWMZRXWKPTD-ZNTNEXAZSA-N
Molecular Weight 342.402 g/mol
SMILES C123C(C(=O)CC=C3\N=N\[n]3nc(C)c(c3)-c3ccccc3)(C=CC=C1)C2
SPLASH splash10-014i-1901000000-c37c7b92a53c7605e7ef
Source of Spectrum K-121-1862-2
Wiley ID 1336768