Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C24H21NO2S/c1-26-22-13-9-20(10-14-22)25(21-11-15-23(27-2)16-12-21)19-7-5-18(6-8-19)24-4-3-17-28-24/h3-17H,1-2H3
SMILES	COc1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)c1cccs1
InChI Key	XYJCIDLTSVUDLE-UHFFFAOYSA-N
Molecular Formula	C24H21NO2S
Exact Mass	387.494 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/XYJCIDLTSVUDLE-UHFFFAOYSA-N/CHMO0000595.1
License URL
Source	https://www.chemotion-repository.net/inchikey/XYJCIDLTSVUDLE-UHFFFAOYSA-N/CHMO0000595.1
Version
Author	Henrik Tappert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-02-25T11:58:44.181737
MetadataModified	2025-02-25T12:05:30.623522
MetadataPublished
Related Molecule

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 300.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : May06-2024 Date : 20240507 Start time : 5.12 Instrument : spect Label : HT-1281 ID : 304178 Solvent : THF

Data-Source Molecule ID	Data-Source
141290147	PubChem
The data in this table is sourced from UniChem at EBI.