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1,9-Bis(3,5-bis(methoxycarbonyl)phenyl)nonane
SpectraBase Compound ID 165tjFpHnUy
InChI InChI=1S/C29H36O8/c1-34-26(30)22-14-20(15-23(18-22)27(31)35-2)12-10-8-6-5-7-9-11-13-21-16-24(28(32)36-3)19-25(17-21)29(33)37-4/h14-19H,5-13H2,1-4H3
InChIKey MYKGIURAMSHIOL-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C29H36O8
Exact Mass 512.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YwxiPbFnvQ
Name 1,9-Bis(3,5-bis(methoxycarbonyl)phenyl)nonane
Alternate Name(s) dimethyl 5-{9-[3,5-bis(methoxycarbonyl)phenyl]nonyl}isophthalate 5-[9-[3,5-bis(methoxycarbonyl)phenyl]nonyl]benzene-1,3-dicarboxylic acid dimethyl ester dimethyl 5-[9-[3,5-bis(methoxycarbonyl)phenyl]nonyl]benzene-1,3-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C29H36O8
InChI InChI=1S/C29H36O8/c1-34-26(30)22-14-20(15-23(18-22)27(31)35-2)12-10-8-6-5-7-9-11-13-21-16-24(28(32)36-3)19-25(17-21)29(33)37-4/h14-19H,5-13H2,1-4H3
InChIKey MYKGIURAMSHIOL-UHFFFAOYSA-N
Molecular Weight 512.599 g/mol
SMILES C(CCCCCCCCc1cc(cc(c1)C(=O)OC)C(=O)OC)c1cc(cc(c1)C(=O)OC)C(=O)OC
SPLASH splash10-0002-0000900000-3b43a01cea863b12f52e
Source of Spectrum J-65-5368-16
Wiley ID 1532980