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Methyl 2-[4-(tert-butyl)-1-methoxycyclohexyl]acetate

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

Methyl 2-[4-(tert-butyl)-1-methoxycyclohexyl]acetate
SpectraBase Compound ID LUoqNKhrbMu
InChI InChI=1S/C14H26O3/c1-13(2,3)11-6-8-14(17-5,9-7-11)10-12(15)16-4/h11H,6-10H2,1-5H3
InChIKey YVVZOLWMQWSGRX-UHFFFAOYSA-N
Mol Weight 242.36 g/mol
Molecular Formula C14H26O3
Exact Mass 242.188195 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID OtqvEeiBE0
Name Methyl 2-[4-(tert-butyl)-1-methoxycyclohexyl]acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.188194694 u
Formula C14H26O3
InChI InChI=1S/C14H26O3/c1-13(2,3)11-6-8-14(17-5,9-7-11)10-12(15)16-4/h11H,6-10H2,1-5H3
InChIKey YVVZOLWMQWSGRX-UHFFFAOYSA-N
Molecular Weight 242.359 g/mol
SMILES C(CC1(CCC(CC1)C(C)(C)C)OC)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.978742