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1,1'-(Hexane-1,6-diyl)bis(6-nitro-2-p-tolylquinolin-4(1H)-one)
SpectraBase Compound ID JHzgHTz0b1D
InChI InChI=1S/C38H34N4O6/c1-25-7-11-27(12-8-25)35-23-37(43)31-21-29(41(45)46)15-17-33(31)39(35)19-5-3-4-6-20-40-34-18-16-30(42(47)48)22-32(34)38(44)24-36(40)28-13-9-26(2)10-14-28/h7-18,21-24H,3-6,19-20H2,1-2H3
InChIKey OQIZJGJUYIFEPF-UHFFFAOYSA-N
Mol Weight 642.7 g/mol
Molecular Formula C38H34N4O6
Exact Mass 642.247835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EWqgrBSI6Im
Name 1,1'-(Hexane-1,6-diyl)bis(6-nitro-2-p-tolylquinolin-4(1H)-one)
Alternate Name(s) 1,1'-(hexane-1,6-diyl)bis(6-nitro-2-(p-tolyl)quinolin-4(1H)-one)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H34N4O6
InChI InChI=1S/C38H34N4O6/c1-25-7-11-27(12-8-25)35-23-37(43)31-21-29(41(45)46)15-17-33(31)39(35)19-5-3-4-6-20-40-34-18-16-30(42(47)48)22-32(34)38(44)24-36(40)28-13-9-26(2)10-14-28/h7-18,21-24H,3-6,19-20H2,1-2H3
InChIKey OQIZJGJUYIFEPF-UHFFFAOYSA-N
Literature Reference DOI 10.1039/C5RA10948E
Molecular Weight 642.712 g/mol
SMILES C(CCCCCN1C(=CC(c2cc(ccc12)[N+](=O)[O-])=O)c1ccc(cc1)C)N1C(=CC(c2cc(ccc12)[N+](=O)[O-])=O)c1ccc(cc1)C
SPLASH splash10-0296-8900000000-35ecc6c74f6d61148192
Source of Spectrum RSA-5-60076-12b
Wiley ID 1805612