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IGIDLTISMCAULB-UHFFFAOYSA-N

View entire compound with spectra: 22 NMR, 9 FTIR, 1 Raman, and 10 MS (GC)

IGIDLTISMCAULB-UHFFFAOYSA-N
SpectraBase Compound ID Gn644OjwOap
InChI InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey IGIDLTISMCAULB-UHFFFAOYSA-N
Mol Weight 116.16 g/mol
Molecular Formula C6H12O2
Exact Mass 116.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6nQqmukzl1K
Name 3-Methylvaleric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 222453
CAS Registry Number 105-43-1
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O2
InChI InChI=1S/C6H12O2/c1-3-5(2)4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey IGIDLTISMCAULB-UHFFFAOYSA-N
Molecular Weight 116.160 g/mol
Purity 97%
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-Methylpentanoic acid; (+/-)-3-Methylvaleric acid
Wiley ID SIAL_VP-FTIR_001794