Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C28H25F6N3O2S/c29-27(30,31)20-15-19(16-21(17-20)28(32,33)34)18-35-25(38)11-6-12-37-24-10-5-4-9-23(24)36-26(37)40-14-13-39-22-7-2-1-3-8-22/h1-5,7-10,15-17H,6,11-14,18H2,(H,35,38)
SMILES O=C(NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)CCCn1c(SCCOc2ccccc2)nc2c1cccc2
InChI Key LBBYPGBSROMMJI-UHFFFAOYSA-N
Molecular Formula C28H25F6N3O2S
Exact Mass 581.572 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LBBYPGBSROMMJI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
License URL
Source https://www.chemotion-repository.net/inchikey/LBBYPGBSROMMJI-UHFFFAOYSA-N/NMR/13C/CDCl3/100.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:18:36.571618
MetadataModified 2024-09-07T14:11:52.015276
MetadataPublished 2015-10-31
Field Value
Measurement Technique 13C nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
92042812 PubChem
The data in this table is sourced from UniChem at EBI.