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-6-methylhepta-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-6-methylhepta-2,4-dien-2-yl)-2-hydroxy-4-methoxy-5-methylcyclohexanecarboxylic acid ethyl ester
SpectraBase Compound ID 8B21zr2fYJG
InChI InChI=1S/C20H32O6/c1-7-26-19(22)16-11-14(4)17(24-5)12-20(16,23)15(18(21)25-6)10-8-9-13(2)3/h8-10,13-14,16-17,23H,7,11-12H2,1-6H3/b9-8-,15-10+/t14-,16-,17-,20+/m0/s1
InChIKey FCDOWMWBSLWLTL-MQEPEDDHSA-N
Mol Weight 368.5 g/mol
Molecular Formula C20H32O6
Exact Mass 368.219889 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 9o3uJg7LqBu
Name (1R,2S,4S,5S)-2-((1Z,3Z)-1-Methoxy-1-oxo-6-methylhepta-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 368.219888744 u
Formula C20H32O6
InChI InChI=1S/C20H32O6/c1-7-26-19(22)16-11-14(4)17(24-5)12-20(16,23)15(18(21)25-6)10-8-9-13(2)3/h8-10,13-14,16-17,23H,7,11-12H2,1-6H3/b9-8-,15-10+/t14-,16-,17-,20+/m0/s1
InChIKey FCDOWMWBSLWLTL-MQEPEDDHSA-N
Molecular Weight 368.470 g/mol
SMILES [C@@]1(\C(C(=O)OC)=C\C=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) 0.90682