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2-[2-[3-methoxy-2-[2-(4-nitrophenyl)ethynyl]-1-cyclohexenyl]ethynyl]-1,3,5-trimethylbenzene
SpectraBase Compound ID HcIS21Lkqqv
InChI InChI=1S/C26H25NO3/c1-18-16-19(2)24(20(3)17-18)15-11-22-6-5-7-26(30-4)25(22)14-10-21-8-12-23(13-9-21)27(28)29/h8-9,12-13,16-17,26H,5-7H2,1-4H3
InChIKey PXZCNMUEKKCRGG-UHFFFAOYSA-N
Mol Weight 399.49 g/mol
Molecular Formula C26H25NO3
Exact Mass 399.183444 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1eHB32tKXbL
Name 2-[2-[3-methoxy-2-[2-(4-nitrophenyl)ethynyl]-1-cyclohexenyl]ethynyl]-1,3,5-trimethylbenzene
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Formula C26H25NO3
InChI InChI=1S/C26H25NO3/c1-18-16-19(2)24(20(3)17-18)15-11-22-6-5-7-26(30-4)25(22)14-10-21-8-12-23(13-9-21)27(28)29/h8-9,12-13,16-17,26H,5-7H2,1-4H3
InChIKey PXZCNMUEKKCRGG-UHFFFAOYSA-N
Molecular Weight 399.490 g/mol
SMILES C1(=C(C(CCC1)OC)C#Cc1ccc(cc1)N(=O)=O)C#Cc1c(C)cc(C)cc1C
SPLASH splash10-000j-0859100000-7a09a978b9c921a6d0c0
Source of Spectrum U-1997-1398-5
Synonyms 2-[2-[3-methoxy-2-[2-(4-nitrophenyl)ethynyl]cyclohexen-1-yl]ethynyl]-1,3,5-trimethyl-benzene
Wiley ID 770001