Dataset

heteronuclear single quantum coherence (HSQC)

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

Chemical Info

molecular Image
InChI InChI=1S/C25H16F15NO/c1-2-12-41-15-11-7-6-10-14(15)16(17(41)13-8-4-3-5-9-13)18(42)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)40/h3-11H,2,12H2,1H3
SMILES CCCn1c(c2ccccc2)c(c2c1cccc2)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 HZWGYARODZYKRN-UHFFFAOYSA-N
Molecular Formula C25H16F15NO
Exact Mass 631.377 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HZWGYARODZYKRN-UHFFFAOYSA-N/CHMO0000604
License URL
Source https://www.chemotion-repository.net/inchikey/HZWGYARODZYKRN-UHFFFAOYSA-N/CHMO0000604
Version
Author Helena Šimek
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T07:30:36.507614
MetadataModified 2024-09-07T23:13:40.310948
MetadataPublished 2022-09-15
Field Value
Measurement Technique heteronuclear single quantum coherence
Measurement Variables
Data-Source Molecule ID Data-Source
164889726 PubChem
The data in this table is sourced from UniChem at EBI.