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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


General   NMReDATA_chemie koeln_Classics in Spectroscopy/Deuteriumoxide (D2O)  
Spectral Data   Additional Data   Download  
Molecule
40265337
Chemical name(s)(3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid; Shikimic acid
Chemical formulaC7H10O5
Molecular weight174.152
Number of double bond equivalents (DBEs)3.0
Number of all rings, size of smallest set of smallest rings1, 1
Canonical name(s)
CAS-Number 138-59-0
Additional information wikidata;
Links from Unichem: PubChem ('Thomson Pharma' subset);SureChEMBL;ZINC;Nikkaji;Mcule;PubChem Compounds
Molecule keywords
DOI
13C Spectrum
60026549 Rating: 10
Type13C
Prediction conditions
ProgramACD/Labs C+H NMR Predictors and DB, 2020.1.0
Literature
Additional commentsID: 6412; SMILES_ID: Q105136690_30803; multplicities generated from proton count
Additional information
Spectrum categoriesacd_lotusv7



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
Prediction 0
acd_lotusv7
1 S 172.9 169.9
2 D 140.0 137.0
3 S 132.5 129.6
4 D 73.8 70.9
5 D 69.3 65.6
6 D 68.5 66.3
7 T 33.1 30.2

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