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2-Isopropyl-5-methylcyclohexyl 3,4-dimethoxybenzoate

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

2-Isopropyl-5-methylcyclohexyl 3,4-dimethoxybenzoate
SpectraBase Compound ID GPPpG4Cj955
InChI InChI=1S/C19H28O4/c1-12(2)15-8-6-13(3)10-17(15)23-19(20)14-7-9-16(21-4)18(11-14)22-5/h7,9,11-13,15,17H,6,8,10H2,1-5H3
InChIKey VLHOGGRSYLACGN-UHFFFAOYSA-N
Mol Weight 320.43 g/mol
Molecular Formula C19H28O4
Exact Mass 320.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID F4u69OMXf7H
Name 2-Isopropyl-5-methylcyclohexyl 3,4-dimethoxybenzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 320.198759378 u
Formula C19H28O4
InChI InChI=1S/C19H28O4/c1-12(2)15-8-6-13(3)10-17(15)23-19(20)14-7-9-16(21-4)18(11-14)22-5/h7,9,11-13,15,17H,6,8,10H2,1-5H3
InChIKey VLHOGGRSYLACGN-UHFFFAOYSA-N
Molecular Weight 320.429 g/mol
SMILES C(C=1C=C(C(=CC1)OC)OC)(=O)OC1C(CCC(C1)C)C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.952832