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(2S,3R)-2-Ethyl-3,4-dimethyl-4-pentenoic acid

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

(2S,3R)-2-Ethyl-3,4-dimethyl-4-pentenoic acid
SpectraBase Compound ID KQ9WHJmgPNY
InChI InChI=1S/C9H16O2/c1-5-8(9(10)11)7(4)6(2)3/h7-8H,2,5H2,1,3-4H3,(H,10,11)/t7-,8-/m0/s1
InChIKey SQVFZGYMKLQWLJ-YUMQZZPRSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1WqXOn205eW
Name (2S,3R)-2-Ethyl-3,4-dimethyl-4-pentenoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 156.115029753 u
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-5-8(9(10)11)7(4)6(2)3/h7-8H,2,5H2,1,3-4H3,(H,10,11)/t7-,8-/m0/s1
InChIKey SQVFZGYMKLQWLJ-YUMQZZPRSA-N
Molecular Weight 156.225 g/mol
SMILES C([C@]([C@](C(=C)C)(C)[H])(CC)[H])(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.956195