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Methyl N-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)terephthalate
SpectraBase Compound ID 9yOoyHngt7K
InChI InChI=1S/C19H27NO3/c1-12(2)16-10-5-13(3)11-17(16)20-18(21)14-6-8-15(9-7-14)19(22)23-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,20,21)/t13-,16+,17-/m1/s1
InChIKey YRFSMWMQNCKBIZ-XOKHGSTOSA-N
Mol Weight 317.43 g/mol
Molecular Formula C19H27NO3
Exact Mass 317.199094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFKX3oeazlN
Name Methyl N-((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)terephthalate
Appearance Colorless solid
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Formula C19H27NO3
InChI InChI=1S/C19H27NO3/c1-12(2)16-10-5-13(3)11-17(16)20-18(21)14-6-8-15(9-7-14)19(22)23-4/h6-9,12-13,16-17H,5,10-11H2,1-4H3,(H,20,21)/t13-,16+,17-/m1/s1
InChIKey YRFSMWMQNCKBIZ-XOKHGSTOSA-N
Ionization Type EI
Molecular Weight 317.429 g/mol
SMILES N([C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H])C(c1ccc(cc1)C(OC)=O)=O
SPLASH splash10-01q9-2910000000-4a9872f5a3700c258dcc
Source of Spectrum EP2064959B1
Wiley ID 1844960