Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C15H13ClN6O4/c1-9-5-15(20-7-11(17-19-20)8-26-10(2)23)18-21(9)14-4-3-12(22(24)25)6-13(14)16/h3-7H,8H2,1-2H3
SMILES CC(=O)OCc1nnn(c1)c1nn(c(c1)C)c1ccc(cc1Cl)[N+](=O)[O-]
InChI Key QIRBWRVTFHDFHS-UHFFFAOYSA-N
Molecular Formula C15H13ClN6O4
Exact Mass 376.755 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QIRBWRVTFHDFHS-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/QIRBWRVTFHDFHS-UHFFFAOYSA-N/CHMO0000604
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • [1-[1-(2-chloro-4-nitrophenyl)-5-methylpyrazol-3-yl]triazol-4-yl]methyl acetate
    • Field Value
    Measurement Technique heteronuclear single quantum coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    170459320 pubchem
    The data in this table is sourced from UniChem at EBI.