Dataset

heteronuclear single quantum coherence (HSQC)

dataset for heteronuclear single quantum coherence (HSQC)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C30H18F15NO/c1-16-9-5-6-12-18(16)15-46-20-14-8-7-13-19(20)21(22(46)17-10-3-2-4-11-17)23(47)24(31,32)25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)45/h2-14H,15H2,1H3
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)Cc1ccccc1C
InChI Key KTPIZOYTZMBWTA-UHFFFAOYSA-N
Molecular Formula C30H18F15NO
Exact Mass 693.446 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/KTPIZOYTZMBWTA-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/KTPIZOYTZMBWTA-UHFFFAOYSA-N/CHMO0000604
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:28:04.424586
MetadataModified 2024-09-07T23:10:22.390799
MetadataPublished 2022-09-15
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889703 PubChem
The data in this table is sourced from UniChem at EBI.