Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C17H18N2O3/c1-10-15-12(17(21)19-5-7-22-8-6-19)9-14(20)11-3-2-4-13(18-10)16(11)15/h2-4,12,18H,5-9H2,1H3
SMILES O=C(C1CC(=O)c2c3c1c(C)[nH]c3ccc2)N1CCOCC1
InChI Key AHZDMNVTLQOTLN-UHFFFAOYSA-N
Molecular Formula C17H18N2O3
Exact Mass 298.336 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/AHZDMNVTLQOTLN-UHFFFAOYSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/AHZDMNVTLQOTLN-UHFFFAOYSA-N/CHMO0000595
Version
Author Andreas Link
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-10-14
Related Molecule
  • 2-methyl-3-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[cd]indol-5-one
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Title : FP

    Date : 20210824

    Start time : 16.54

    Label : CWG-167

    ID : 112109

    Solvent : DMSO

    Temperature : 298.8 K K

    Puls programme : zgpg30

    Number of scans : 1024

    Instrument : spect

    Data-Source Molecule ID Data-Source
    No additional information available for this Dataset.