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1,1':3',1'':3'',1'''-Quaterphenyl, 4'',6'-bis(1-ethylpropoxy)-4,4'''-dimethoxy-2,2'''-dimethyl-2',2''-dinitro-
SpectraBase Compound ID Kw5ceuAkTEx
InChI InChI=1S/C38H44N2O8/c1-9-25(10-2)47-33-19-17-31(37(39(41)42)35(33)29-15-13-27(45-7)21-23(29)5)32-18-20-34(48-26(11-3)12-4)36(38(32)40(43)44)30-16-14-28(46-8)22-24(30)6/h13-22,25-26H,9-12H2,1-8H3
InChIKey QMKDURWCMQPHOY-UHFFFAOYSA-N
Mol Weight 656.8 g/mol
Molecular Formula C38H44N2O8
Exact Mass 656.309766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8SSqpKuqFlu
Name 1,1':3',1'':3'',1'''-Quaterphenyl, 4'',6'-bis(1-ethylpropoxy)-4,4'''-dimethoxy-2,2'''-dimethyl-2',2''-dinitro-
CAS Registry Number 113138-00-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H44N2O8
InChI InChI=1S/C38H44N2O8/c1-9-25(10-2)47-33-19-17-31(37(39(41)42)35(33)29-15-13-27(45-7)21-23(29)5)32-18-20-34(48-26(11-3)12-4)36(38(32)40(43)44)30-16-14-28(46-8)22-24(30)6/h13-22,25-26H,9-12H2,1-8H3
InChIKey QMKDURWCMQPHOY-UHFFFAOYSA-N
Molecular Weight 656.776 g/mol
SMILES c1(c(c(OC(CC)CC)ccc1-c1c(c(-c2c(cc(cc2)OC)C)c(cc1)OC(CC)CC)N(=O)=O)-c1c(cc(cc1)OC)C)N(=O)=O
SPLASH splash10-0aor-0000079000-1507625fd5e81bb31be9
Source of Spectrum KC-1987-874-6
Synonyms 1,1':3',1'':3'',1'''-quaterphenyl, 4'',6'-bis(1-ethylpropoxy)-4,4'''-dimethoxy-2,2'''-dimethyl-2',2''-dinitro- 2-(4-methoxy-2-methylphenyl)-4-[3-(4-methoxy-2-methylphenyl)-2-nitro-4-(pentan-3-yloxy)phenyl]-3-nitro-1-(pentan-3-yloxy)benzene 4'',6'-bis(diethylmethoxy)-4,4'''-dimethoxy-2,2'''-dimethyl-2',2''-dinitro-m-quaterphenyl 4'',6'-bis(diethylmethoxy)-4,4'''-dimethoxy-2,2'''-dimethyl-2',2''-dinitro-m-quaterphenyl
Wiley ID 1413378