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Bis(phenylmenthyl) acetylenedicarboxylate

View entire compound with spectra: 1 MS (GC)

Bis(phenylmenthyl) acetylenedicarboxylate
SpectraBase Compound ID DjgWjkeox1o
InChI InChI=1S/C36H46O4/c1-25-17-19-29(35(3,4)27-13-9-7-10-14-27)31(23-25)39-33(37)21-22-34(38)40-32-24-26(2)18-20-30(32)36(5,6)28-15-11-8-12-16-28/h7-16,25-26,29-32H,17-20,23-24H2,1-6H3/t25-,26-,29-,30-,31-,32-/m1/s1
InChIKey ZGSTXQRGOCFIST-WMJKYNMFSA-N
Mol Weight 542.8 g/mol
Molecular Formula C36H46O4
Exact Mass 542.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5uE3s0WeAqn
Name Bis(phenylmenthyl) acetylenedicarboxylate
Alternate Name(s) bis[5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl]2-butynedioate But-2-ynedioic acid bis-[(1R,2S,5R)-5-methyl-2-(1-methyl-1-phenyl-ethyl)-cyclohexyl]ester
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Formula C36H46O4
InChI InChI=1S/C36H46O4/c1-25-17-19-29(35(3,4)27-13-9-7-10-14-27)31(23-25)39-33(37)21-22-34(38)40-32-24-26(2)18-20-30(32)36(5,6)28-15-11-8-12-16-28/h7-16,25-26,29-32H,17-20,23-24H2,1-6H3/t25-,26-,29-,30-,31-,32-/m1/s1
InChIKey ZGSTXQRGOCFIST-WMJKYNMFSA-N
Molecular Weight 542.760 g/mol
SMILES [C@]1([C@](OC(C#CC(O[C@]2([C@](C(c3ccccc3)(C)C)(CC[C@](C2)(C)[H])[H])[H])=O)=O)(C[C@@](CC1)(C)[H])[H])(C(c1ccccc1)(C)C)[H]
SPLASH splash10-014i-1910000000-3e94b6ce475047e3dd86
Source of Spectrum F-55-14837-23
Wiley ID 840281