Dataset

1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)

dataset for 1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)\n\n

Chemical Info

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)45(17-19-11-5-2-6-12-19)21-14-8-7-13-20(21)16-15-18-9-3-1-4-10-18/h1-14H,17H2
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)N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1
InChI Key NHZMGCSFZOZGJL-UHFFFAOYSA-N
Molecular Formula C29H16F15NO
Exact Mass 679.419 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/NHZMGCSFZOZGJL-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/NHZMGCSFZOZGJL-UHFFFAOYSA-N/CHMO0001148
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:41:03.826772
MetadataModified 2024-09-07T23:27:25.193316
MetadataPublished 2022-09-15
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889681 PubChem
The data in this table is sourced from UniChem at EBI.