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trans-2,7-Bis(2-nitrophenyl)-10b,10c-dimethyl-10b,10c-dihydropyrene

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trans-2,7-Bis(2-nitrophenyl)-10b,10c-dimethyl-10b,10c-dihydropyrene
SpectraBase Compound ID 9pQPzzTnlBV
InChI InChI=1S/C30H22N2O4/c1-29-21-11-13-23-17-20(26-8-4-6-10-28(26)32(35)36)18-24(30(23,29)2)14-12-22(29)16-19(15-21)25-7-3-5-9-27(25)31(33)34/h3-18H,1-2H3
InChIKey HHVOJLXGSRMTPU-UHFFFAOYSA-N
Mol Weight 474.52 g/mol
Molecular Formula C30H22N2O4
Exact Mass 474.157957 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DqoT4AG159L
Name Trans-2,7-bis(2-nitrophenyl)-10B,10C-dimethyl-10B,10C-dihydropyrene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.157957192 u
Formula C30H22N2O4
InChI InChI=1S/C30H22N2O4/c1-29-21-11-13-23-17-20(26-8-4-6-10-28(26)32(35)36)18-24(30(23,29)2)14-12-22(29)16-19(15-21)25-7-3-5-9-27(25)31(33)34/h3-18H,1-2H3
InChIKey HHVOJLXGSRMTPU-UHFFFAOYSA-N
Molecular Weight 474.516 g/mol
SMILES C12(C3(C4=CC(=CC3=CC=C1C=C(C=1C(N(=O)=O)=CC=CC1)C=C2C=C4)C=1C(N(=O)=O)=CC=CC1)C)C