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2,2-Bis(hydroxymethyl)butyric acid

View entire compound with spectra: 2 NMR, and 1 FTIR

2,2-Bis(hydroxymethyl)butyric acid
SpectraBase Compound ID LkP5YNYmTcZ
InChI InChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)
InChIKey JVYDLYGCSIHCMR-UHFFFAOYSA-N
Mol Weight 148.16 g/mol
Molecular Formula C6H12O4
Exact Mass 148.073559 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6z21QI4UPng
Name 2,2-Bis(hydroxymethyl)butyric acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 470627
CAS Registry Number 10097-02-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H12O4
InChI InChI=1S/C6H12O4/c1-2-6(3-7,4-8)5(9)10/h7-8H,2-4H2,1H3,(H,9,10)
InChIKey JVYDLYGCSIHCMR-UHFFFAOYSA-N
Observed nucleus 13C
Purity 98%
Solvent Acetone-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_010249