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7-Isopropyl-1-methyl-4-[(2'-(4"-nitrophenyl)ethenyl]-azulene
SpectraBase Compound ID HxpPOsRQ3rg
InChI InChI=1S/C22H21NO2/c1-15(2)19-10-9-18(21-13-4-16(3)22(21)14-19)8-5-17-6-11-20(12-7-17)23(24)25/h4-15H,1-3H3/b8-5+
InChIKey ZYNADQFCMYFFEN-VMPITWQZSA-N
Mol Weight 331.42 g/mol
Molecular Formula C22H21NO2
Exact Mass 331.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DWOgwAtfFWn
Name 7-Isopropyl-1-methyl-4-[(2'-(4"-nitrophenyl)ethenyl]-azulene
Alternate Name(s) 7-Isopropyl-1-methyl-4-[2'-(4''-nitrophenyl)ethenyl]-azulene 1-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-7-propan-2-ylazulene 1-methyl-4-[(E)-2-(4-nitrophenyl)ethenyl]-7-propan-2-yl-azulene
Comments Less than 3 mono-isotopic peaks
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Formula C22H21NO2
InChI InChI=1S/C22H21NO2/c1-15(2)19-10-9-18(21-13-4-16(3)22(21)14-19)8-5-17-6-11-20(12-7-17)23(24)25/h4-15H,1-3H3/b8-5+
InChIKey ZYNADQFCMYFFEN-VMPITWQZSA-N
Molecular Weight 331.415 g/mol
SMILES c12c(ccc2C)c(ccc(c1)C(C)C)\C=C\c1ccc(N(=O)=O)cc1
SPLASH splash10-001i-0009000000-7390be1e6fa083e2208d
Source of Spectrum H-82-312-2
Wiley ID 815371