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Methyl trans-4-(propan-2-yl)cyclohexane-1-carboxylate
SpectraBase Compound ID 8WRaGmL7Ff0
InChI InChI=1S/C11H20O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h8-10H,4-7H2,1-3H3/t9-,10-
InChIKey VONQSXKGLDMZDL-MGCOHNPYSA-N
Mol Weight 184.28 g/mol
Molecular Formula C11H20O2
Exact Mass 184.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2y6waArLvCK
Name Methyl trans-4-(propan-2-yl)cyclohexane-1-carboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 184.146329882 u
Formula C11H20O2
InChI InChI=1S/C11H20O2/c1-8(2)9-4-6-10(7-5-9)11(12)13-3/h8-10H,4-7H2,1-3H3/t9-,10-
InChIKey VONQSXKGLDMZDL-MGCOHNPYSA-N
Molecular Weight 184.279 g/mol
SMILES [C@]1(CC[C@@](CC1)(C(C)C)[H])(C(=O)OC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.836092