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4-Methyloctanoic acid

View entire compound with spectra: 2 NMR, 7 FTIR, 1 Raman, and 3 MS (GC)

4-Methyloctanoic acid
SpectraBase Compound ID En6rljj4Fo
InChI InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey LEGGANXCVQPIAI-UHFFFAOYSA-N
Mol Weight 158.24 g/mol
Molecular Formula C9H18O2
Exact Mass 158.13068 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Rw7Gc2m6am
Name (+/-)-4-Methyloctanoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number W357502
CAS Registry Number 54947-74-9
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O2
InChI InChI=1S/C9H18O2/c1-3-4-5-8(2)6-7-9(10)11/h8H,3-7H2,1-2H3,(H,10,11)
InChIKey LEGGANXCVQPIAI-UHFFFAOYSA-N
Observed nucleus 1H
Purity >=98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_013112