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/C29H14F17NO/c30-16-9-5-14(6-10-16)13-47-19-4-2-1-3-18(19)20(21(47)15-7-11-17(31)12-8-15)22(48)23(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)46/h1-12H,13H2
SMILES Fc1ccc(cc1)c1c(c2c(n1Cc1ccc(cc1)F)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 PXXDVSMLHGSDBP-UHFFFAOYSA-N
Molecular Formula C29H14F17NO
Exact Mass 715.400 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/PXXDVSMLHGSDBP-UHFFFAOYSA-N/CHMO0001148
License URL
Source https://www.chemotion-repository.net/inchikey/PXXDVSMLHGSDBP-UHFFFAOYSA-N/CHMO0001148
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:26:21.279453
MetadataModified 2024-09-07T23:08:01.769560
MetadataPublished 2022-09-15
Field Value
Measurement Technique 1H–13C heteronuclear multiple bond coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889705 PubChem
The data in this table is sourced from UniChem at EBI.