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N-[di(2',5'-(t-Butylphenyl)]-9-nitroperylene-3,4-dicarboxamide
SpectraBase Compound ID C9MhwQOXOG1
InChI InChI=1S/C36H30N2O4/c1-35(2,3)19-10-16-27(36(4,5)6)29(18-19)37-33(39)25-13-11-22-20-8-7-9-24-28(38(41)42)17-15-21(30(20)24)23-12-14-26(34(37)40)32(25)31(22)23/h7-18H,1-6H3
InChIKey MVZZMAYFVAOVTM-UHFFFAOYSA-N
Mol Weight 554.6 g/mol
Molecular Formula C36H30N2O4
Exact Mass 554.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ALH6hTsCY9N
Name N-[di(2',5'-(t-Butylphenyl)]-9-nitroperylene-3,4-dicarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H30N2O4
InChI InChI=1S/C36H30N2O4/c1-35(2,3)19-10-16-27(36(4,5)6)29(18-19)37-33(39)25-13-11-22-20-8-7-9-24-28(38(41)42)17-15-21(30(20)24)23-12-14-26(34(37)40)32(25)31(22)23/h7-18H,1-6H3
InChIKey MVZZMAYFVAOVTM-UHFFFAOYSA-N
Molecular Weight 554.646 g/mol
SMILES C1(N(C(c2c3c4c(ccc13)c1ccc(c3c1c(c4cc2)ccc3)N(=O)=O)=O)c1c(ccc(c1)C(C)(C)C)C(C)(C)C)=O
SPLASH splash10-0002-0000900000-5c394b6eb3453beb3239
Source of Spectrum U-1995-1240-7
Wiley ID 767266