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N-[di(2',5'-(t-Butylphenyl)]-1,6-dinitroperylene-3,4-dicarboxamide
SpectraBase Compound ID CMS5FkVSwm2
InChI InChI=1S/C36H29N3O6/c1-35(2,3)23-14-9-15-24(36(4,5)6)32(23)37-33(40)21-16-25(38(42)43)29-19-12-7-10-18-11-8-13-20(27(18)19)30-26(39(44)45)17-22(34(37)41)28(21)31(29)30/h7-17H,1-6H3
InChIKey AAFVCEBYNIZAKO-UHFFFAOYSA-N
Mol Weight 599.6 g/mol
Molecular Formula C36H29N3O6
Exact Mass 599.205636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 68PdMBOqv5t
Name N-[di(2',5'-(t-Butylphenyl)]-1,6-dinitroperylene-3,4-dicarboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H29N3O6
InChI InChI=1S/C36H29N3O6/c1-35(2,3)23-14-9-15-24(36(4,5)6)32(23)37-33(40)21-16-25(38(42)43)29-19-12-7-10-18-11-8-13-20(27(18)19)30-26(39(44)45)17-22(34(37)41)28(21)31(29)30/h7-17H,1-6H3
InChIKey AAFVCEBYNIZAKO-UHFFFAOYSA-N
Molecular Weight 599.643 g/mol
SMILES C1(N(C(c2cc(c3c4c2c1cc(c4c1c2c(cccc32)ccc1)N(=O)=O)N(=O)=O)=O)c1c(C(C)(C)C)cccc1C(C)(C)C)=O
SPLASH splash10-0006-0000490000-1ed29b7e39eac78ce0fe
Source of Spectrum U-1995-1240-12
Wiley ID 767268