Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C23H27N3O2S/c27-22(25-14-6-7-15-25)13-8-16-26-21-12-5-4-11-20(21)24-23(26)29-18-17-28-19-9-2-1-3-10-19/h1-5,9-12H,6-8,13-18H2
SMILES O=C(N1CCCC1)CCCn1c(SCCOc2ccccc2)nc2c1cccc2
InChI Key ZXNPVDOMPCBEFA-UHFFFAOYSA-N
Molecular Formula C23H27N3O2S
Exact Mass 409.544 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZXNPVDOMPCBEFA-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
License URL
Source https://www.chemotion-repository.net/inchikey/ZXNPVDOMPCBEFA-UHFFFAOYSA-N/NMR/13C/CDCl3/75.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataPublished 2015-10-30
Related Molecule
  • 4-[2-(2-phenoxyethylsulfanyl)benzimidazol-1-yl]-1-pyrrolidin-1-ylbutan-1-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    92042807 PubChem
    The data in this table is sourced from UniChem at EBI.