Dataset

heteronuclear multiple bond coherence (HMBC)

dataset for heteronuclear multiple bond coherence (HMBC)

Chemical Information

molecular Image
InChI InChI=1S/C19H16BrN5O/c1-26-17-8-4-15(5-9-17)18-13-25(23-21-18)19-10-11-24(22-19)12-14-2-6-16(20)7-3-14/h2-11,13H,12H2,1H3
SMILES COc1ccc(cc1)c1nnn(c1)c1ccn(n1)Cc1ccc(cc1)Br
InChI Key QXNOXDRDOZJZFO-UHFFFAOYSA-N
Molecular Formula C19H16BrN5O
Exact Mass 410.267 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QXNOXDRDOZJZFO-UHFFFAOYSA-N/CHMO0000601
License URL
Source https://www.chemotion-repository.net/inchikey/QXNOXDRDOZJZFO-UHFFFAOYSA-N/CHMO0000601
Version
Author Nicolai Wippert
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-02-14
Related Molecule
  • 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-(4-methoxyphenyl)triazole
    • Field Value
    Measurement Technique heteronuclear multiple bond coherence
    Measurement Variables
    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.