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(1S)-(+)-Ketopinic acid

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

(1S)-(+)-Ketopinic acid
SpectraBase Compound ID 4MQkN5BFote
InChI InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1
InChIKey WDODWBQJVMBHCO-LDWIPMOCSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 51aCPMxQpuz
Name (1S)-(+)-Ketopinic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 420964
CAS Registry Number 40724-67-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-9(2)6-3-4-10(9,8(12)13)7(11)5-6/h6H,3-5H2,1-2H3,(H,12,13)/t6-,10+/m1/s1
InChIKey WDODWBQJVMBHCO-LDWIPMOCSA-N
Observed nucleus 1H
Purity 99%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (1S)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptane-1-carboxylic acid
Wiley ID SIAL_1HNMR_009261