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(E)-6-keto-6-methoxy-4-methyl-hex-2-enoic acid

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

(E)-6-keto-6-methoxy-4-methyl-hex-2-enoic acid
SpectraBase Compound ID 4IzolRvACv4
InChI InChI=1S/C8H12O4/c1-6(3-4-7(9)10)5-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+
InChIKey LKPCREFCOURSFD-ONEGZZNKSA-N
Mol Weight 172.18 g/mol
Molecular Formula C8H12O4
Exact Mass 172.073559 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID AWwRL8KdNCE
Name (E)-6-Keto-6-methoxy-4-methyl-hex-2-enoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 172.073558862 u
Formula C8H12O4
InChI InChI=1S/C8H12O4/c1-6(3-4-7(9)10)5-8(11)12-2/h3-4,6H,5H2,1-2H3,(H,9,10)/b4-3+
InChIKey LKPCREFCOURSFD-ONEGZZNKSA-N
Molecular Weight 172.180 g/mol
SMILES C(\C=C\C(CC(=O)OC)C)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97529