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/C30H17F16NO/c1-15-6-8-16(9-7-15)14-47-20-5-3-2-4-19(20)21(22(47)17-10-12-18(31)13-11-17)23(48)24(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)46/h2-13H,14H2,1H3
SMILES Fc1ccc(cc1)c1c(c2c(n1Cc1ccc(cc1)C)cccc2)C(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI Key LUBINYNOHWELAF-UHFFFAOYSA-N
Molecular Formula C30H17F16NO
Exact Mass 711.437 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LUBINYNOHWELAF-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/LUBINYNOHWELAF-UHFFFAOYSA-N/CHMO0001148
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:30:17.029585
MetadataModified 2024-09-07T23:13:17.252146
MetadataPublished 2022-09-15
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889724 PubChem
The data in this table is sourced from UniChem at EBI.