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This molecule without stereoconfiguration:

This molecule with other stereoconfigurations:


Spectral Data   Additional Data   Download  
Molecule
20026338
Chemical name(s)(2S,3S)-2-amino-3-methylpentanoic acid
Chemical formulaC6H13NO2
Molecular weight131.173
Number of double bond equivalents (DBEs)1.0
Number of all rings, size of smallest set of smallest rings0, 0
Canonical name(s)
CAS-Number
Additional information wikidata; Deposition in PubChem; ChEBI;
Links from Unichem: Nikkaji;Guide to Pharmacology;SureChEMBL;ZINC;BindingDB;EPA (Environmental Protection Agency) CompTox Dashboard;Mcule;clinicaltrials;DrugCentral;MedChemExpress;rxnorm;clinicaltrials;FDA/USP Substance ... (truncated)
Molecule keywords
DOI10.18716/nmrshiftdb2/20026338
13C Spectrum
20074892 Rating: 10
Type13C
Measurement conditions
Temperature [K]Unreported
SolventUnreported
Field Strength [MHz]Unreported
Assignment MethodUnreported
Literature
Additional comments4573.MOL.2; Multiplicities generated automatically from H count
Additional information
Spectrum categoriesocmainz inhouse-2



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
hose_lotusv7
1 Q 11.14 10.810.8
2 T 24.60 24.224.2
3 D 36.90 35.535.5
4 Q 15.00 14.215.01
5 D 59.50 58.658.6
6 S 176.50 173.1173.1

Double click upper part to get resizeable window!



Spectral Data   Additional Data   Download  
Type: 13C Double click to get resizeable window!
Atom
Mult.(coupling const.)
Prediction
Shift
expt-0
ocmainz inhouse-2
Prediction 1
acd_lotusv7
1 Q 10.80 10.811.14
2 T 24.20 24.224.6
3 D 35.50 35.536.9
4 Q 15.01 14.215.0
5 D 58.60 58.659.5
6 S 173.10 173.1176.5

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