Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

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

Chemical Information

molecular Image
InChI InChI=1S/C20H14F15N/c1-9-13(2,3)11-8-10(4-5-12(11)36-9)6-7-14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h4-8H,1-3H3/b7-6+
SMILES CC1=Nc2c(C1(C)C)cc(cc2)/C=C/C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key ZUUYGWSDFRSKRQ-VOTSOKGWSA-N
Molecular Formula C20H14F15N
Exact Mass 553.308 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/ZUUYGWSDFRSKRQ-VOTSOKGWSA-N/CHMO0000595
License URL
Source https://www.chemotion-repository.net/inchikey/ZUUYGWSDFRSKRQ-VOTSOKGWSA-N/CHMO0000595
Version
Author Alex Braun
Maintainer Chemotion Repository
Language english
MetadataPublished 2019-11-06
Related Molecule
  • 2,3,3-trimethyl-5-[(E)-3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluoronon-1-enyl]indole
    • Field Value
    Measurement Technique 13C nuclear magnetic resonance spectroscopy
    Measurement Variables
    Data-Source Molecule ID Data-Source
    139593333 PubChem
    The data in this table is sourced from UniChem at EBI.