Dataset

1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

dataset for 1H--13C heteronuclear single quantum coherence (1H-13C HSQC)

Chemical Information

molecular Image
InChI InChI=1S/C18H16N2O3/c1-10-16-13(18(22)19-9-11-4-3-7-23-11)8-15(21)12-5-2-6-14(20-10)17(12)16/h2-7,13,20H,8-9H2,1H3,(H,19,22)
SMILES O=C(C1CC(=O)c2c3c1c(C)[nH]c3ccc2)NCc1ccco1
InChI Key QIROZZVNYLUVGF-UHFFFAOYSA-N
Molecular Formula C18H16N2O3
Exact Mass 308.331 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/QIROZZVNYLUVGF-UHFFFAOYSA-N/CHMO0001146
License URL
Source https://www.chemotion-repository.net/inchikey/QIROZZVNYLUVGF-UHFFFAOYSA-N/CHMO0001146
Version
Author Andreas Link
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-14
Related Molecule
  • N-(furan-2-ylmethyl)-2-methyl-5-oxo-3,4-dihydro-1H-benzo[cd]indole-3-carboxamide
    • Field Value
    Measurement Technique 1H–13C heteronuclear single quantum coherence
    Measurement Variables
    title : FP

    date : 20210819

    starting time : 20.04

    label : CWG-162

    id : 112100

    Solvent : DMSO

    temperature : 298.3 K

    PULPROG : hsqcedetgpsisp2.2

    number of scans : 8 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    172399891 pubchem
    The data in this table is sourced from UniChem at EBI.