Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C24H30N2O3S/c1-5-28-22(27)11-8-14-26-21-10-7-6-9-20(21)25-24(26)30-16-15-29-23-18(3)13-12-17(2)19(23)4/h6-7,9-10,12-13H,5,8,11,14-16H2,1-4H3
SMILES CCOC(=O)CCCn1c(SCCOc2c(C)ccc(c2C)C)nc2c1cccc2
InChI Key HNNQHZNNPICVSF-UHFFFAOYSA-N
Molecular Formula C24H30N2O3S
Exact Mass 426.572 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/HNNQHZNNPICVSF-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
License URL
Source https://www.chemotion-repository.net/inchikey/HNNQHZNNPICVSF-UHFFFAOYSA-N/NMR/1H/CDCl3/300.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:18:07.384101
MetadataModified 2024-09-07T14:11:01.237889
MetadataPublished 2015-10-31
Related Molecule
Field Value
Measurement Technique 1H nuclear magnetic resonance spectroscopy
Measurement Variables
Data-Source Molecule ID Data-Source
92042809 PubChem
The data in this table is sourced from UniChem at EBI.