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trans-,trans-m-BIS(o-NITROSTYRYL)BENZENE

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

trans-,trans-m-BIS(o-NITROSTYRYL)BENZENE
SpectraBase Compound ID 2UXYw4MYzDQ
InChI InChI=1S/C22H16N2O4/c25-23(26)21-10-3-1-8-19(21)14-12-17-6-5-7-18(16-17)13-15-20-9-2-4-11-22(20)24(27)28/h1-16H/b14-12+,15-13+
InChIKey RULMKQUDKSVTAJ-QUMQEAAQSA-N
Mol Weight 372.38 g/mol
Molecular Formula C22H16N2O4
Exact Mass 372.111007 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Q6tPHrKYIG
Name Trans, trans-m-bis(o-nitrostyryl)benzene
Comments Computed using HOSE algorithm
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Exact Mass 372.111006999 u
Formula C22H16N2O4
InChI InChI=1S/C22H16N2O4/c25-23(26)21-10-3-1-8-19(21)14-12-17-6-5-7-18(16-17)13-15-20-9-2-4-11-22(20)24(27)28/h1-16H/b14-12+,15-13+
InChIKey RULMKQUDKSVTAJ-QUMQEAAQSA-N
Molecular Weight 372.380 g/mol
SMILES N(=O)(=O)C=1C=CC=CC1\C=C\C1=CC(\C=C\C=2C(=CC=CC2)N(=O)=O)=CC=C1