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Shikimic acid

View entire compound with spectra: 6 NMR, and 3 FTIR

Shikimic acid
SpectraBase Compound ID B8YqVDmOmtA
InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
InChIKey JXOHGGNKMLTUBP-HSUXUTPPSA-N
Mol Weight 174.15 g/mol
Molecular Formula C7H10O5
Exact Mass 174.052823 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AXavgSHsZYg
Name Shikimic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number S3208
CAS Registry Number 138-59-0
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O5
InChI InChI=1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)/t4-,5-,6-/m1/s1
InChIKey JXOHGGNKMLTUBP-HSUXUTPPSA-N
Observed nucleus 1H
Purity 98%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms (3R,4S,5R)-(-)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
Wiley ID SIAL_1HNMR_012645