For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

(1R,2S,4S,5S)-2-((1Z,3Z)-1-methoxy-1-oxo-hexa-2,4-dien-2-yl)-2-hydroxy-4-methoxy-5-methylcyclohexanecarboxylic acid ethyl ester

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

(1R,2S,4S,5S)-2-((1Z,3Z)-1-methoxy-1-oxo-hexa-2,4-dien-2-yl)-2-hydroxy-4-methoxy-5-methylcyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID 41H1c56Dxhc
InChI InChI=1S/C18H28O6/c1-6-8-9-13(16(19)23-5)18(21)11-15(22-4)12(3)10-14(18)17(20)24-7-2/h6,8-9,12,14-15,21H,7,10-11H2,1-5H3/b8-6-,13-9+/t12-,14-,15-,18+/m0/s1
InChIKey OZJJHECCSSPAEU-RMPXMHILSA-N
Mol Weight 340.42 g/mol
Molecular Formula C18H28O6
Exact Mass 340.188589 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Im9s8ZHQmNY
Name (1R,2S,4S,5S)-2-((1Z,3Z)-1-Methoxy-1-oxo-hexa-2,4-dien-2-yl)-2-hydroxy-4-methoxy-5-methylcyclohexanecarboxylic acid ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.188588616 u
Formula C18H28O6
InChI InChI=1S/C18H28O6/c1-6-8-9-13(16(19)23-5)18(21)11-15(22-4)12(3)10-14(18)17(20)24-7-2/h6,8-9,12,14-15,21H,7,10-11H2,1-5H3/b8-6-,13-9+/t12-,14-,15-,18+/m0/s1
InChIKey OZJJHECCSSPAEU-RMPXMHILSA-N
Molecular Weight 340.416 g/mol
SMILES [C@@]1(\C(C(=O)OC)=C\C=C/C)([C@@](C[C@@]([C@](C1)(OC)[H])(C)[H])(C(=O)OCC)[H])O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.944711