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3-Propylhexanoic acid
SpectraBase Compound ID 4gmOifmam8C
InChI InChI=1S/C9H18O2/c1-3-5-8(6-4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey VSWVHHCWUCZFBB-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LeZIgM9Avk3
Name 3-Propylhexanoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 158.130679818 u
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-5-8(6-4-2)7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey VSWVHHCWUCZFBB-UHFFFAOYSA-N
Molecular Weight 158.241 g/mol
SMILES C(CC(O)=O)(CCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.983122