Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C29H16F15NO/c30-23(31,24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)44)22(46)20-18-13-7-8-14-19(18)45(15-16-9-3-1-4-10-16)21(20)17-11-5-2-6-12-17/h1-14H,15H2
SMILES O=C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)c1c(c2ccccc2)n(c2c1cccc2)Cc1ccccc1
InChI Key CDVMGELSTOUEQI-UHFFFAOYSA-N
Molecular Formula C29H16F15NO
Exact Mass 679.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/CDVMGELSTOUEQI-UHFFFAOYSA-N/CHMO0000593.2
License URL
Source https://www.chemotion-repository.net/inchikey/CDVMGELSTOUEQI-UHFFFAOYSA-N/CHMO0000593.2
Version
Author Helena Šimek Tosino
Maintainer Chemotion Repository
Language english
MetadataPublished 2024-05-21
Related Molecule
  • 1-(1-benzyl-2-phenylindol-3-yl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctan-1-one
    • Field Value
    Measurement Technique 1H nuclear magnetic resonance spectroscopy
    Measurement Variables
    title : HMS-Q396

    date : 20220119

    starting time : 16.10 h

    label : HMS-1604

    id : 293356

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : HMS-Q399

    date : 20220119

    starting time : 16.16 h

    label : HMS-1604

    id : 293356

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : HMS-Q402

    date : 20220120

    starting time : 14.51 h

    label : HMS-1604

    id : 293356

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : HMS-Q400

    date : 20220120

    starting time : 14.38 h

    label : HMS-1604

    id : 293356

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : HMS-Q401

    date : 20220120

    starting time : 14.44 h

    label : HMS-1604

    id : 293356

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : HMS-Q407

    date : 20220126

    starting time : 15.12 h

    label : HMS-1604

    id : 293356

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : HMS-Q395

    date : 20220119

    starting time : 16.04 h

    label : HMS-1604

    id : 293356

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : HMS-Q405

    date : 20220121

    starting time : 12.04 h

    label : HMS-1604

    id : 293356

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    title : HMS-Q403

    date : 20220120

    starting time : 14.57 h

    label : HMS-1604

    id : 293356

    Solvent : chloroform-D1 (CDCl3)

    temperature : 298.0 K

    PULPROG : zg30

    number of scans : 16 scans

    instrument : spect

    Data-Source Molecule ID Data-Source
    164889684 PubChem
    The data in this table is sourced from UniChem at EBI.