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1-Ethyl-3-methyl 1-methylcyclohexane-trans-1,3-dicarboxylate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

1-Ethyl-3-methyl 1-methylcyclohexane-trans-1,3-dicarboxylate
SpectraBase Compound ID 8Jx2QXFF2HG
InChI InChI=1S/C12H20O4/c1-4-16-11(14)12(2)7-5-6-9(8-12)10(13)15-3/h9H,4-8H2,1-3H3/t9-,12-/m0/s1
InChIKey JQXANCIONDWQMV-CABZTGNLSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EjMbycJEOOv
Name 1-Ethyl-3-methyl 1-methylcyclohexane-trans-1,3-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.136159120 u
Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-4-16-11(14)12(2)7-5-6-9(8-12)10(13)15-3/h9H,4-8H2,1-3H3/t9-,12-/m0/s1
InChIKey JQXANCIONDWQMV-CABZTGNLSA-N
Molecular Weight 228.288 g/mol
SMILES [C@]1(C(=O)OCC)(C[C@@](C(=O)OC)(CCC1)[H])C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857297