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Ethyl (2R*,3R*)-2-ethyl-3-methyl-3-hydroxyhex-5-enoate

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

Ethyl (2R*,3R*)-2-ethyl-3-methyl-3-hydroxyhex-5-enoate
SpectraBase Compound ID 28T4IlaZB2f
InChI InChI=1S/C11H20O3/c1-5-8-11(4,13)9(6-2)10(12)14-7-3/h5,9,13H,1,6-8H2,2-4H3/t9-,11+/m0/s1
InChIKey GZEISWMIHSCLCE-GXSJLCMTSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 614lH8EybS6
Name Ethyl (2R*,3R*)-2-ethyl-3-methyl-3-hydroxyhex-5-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 200.141244501 u
Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-5-8-11(4,13)9(6-2)10(12)14-7-3/h5,9,13H,1,6-8H2,2-4H3/t9-,11+/m0/s1
InChIKey GZEISWMIHSCLCE-GXSJLCMTSA-N
Molecular Weight 200.278 g/mol
SMILES [C@@](C(=O)OCC)([C@](O)(CC=C)C)(CC)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.833223