Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Information

molecular Image
InChI InChI=1S/C17H22N2O4S/c1-16(2,3)22-14(20)19-12-10-8-7-9-11(12)18-13(19)24-15(21)23-17(4,5)6/h7-10H,1-6H3
SMILES O=C(OC(C)(C)C)Sc1nc2c(n1C(=O)OC(C)(C)C)cccc2
InChI Key ASJFIELLNLIMQP-UHFFFAOYSA-N
Molecular Formula C17H22N2O4S
Exact Mass 350.433 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ASJFIELLNLIMQP-UHFFFAOYSA-N/NMR/13C/CDCl3/100
License URL
Source https://www.chemotion-repository.net/inchikey/ASJFIELLNLIMQP-UHFFFAOYSA-N/NMR/13C/CDCl3/100
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2014-05-27
Related Molecule
  • tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylsulfanyl]benzimidazole-1-carboxylate
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    73427514 pubchem
    The data in this table is sourced from UniChem at EBI.