Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Info

InChI	InChI=1S/C21H26O2S2/c1-3-7-19(8-4-1)17-22-13-11-21(24-15-16-25-21)12-14-23-18-20-9-5-2-6-10-20/h1-10H,11-18H2
SMILES	O(Cc1ccccc1)CCC1(CCOCc2ccccc2)SCCS1
InChI Key	QQXPAKWFCLXRJQ-UHFFFAOYSA-N
Molecular Formula	C21H26O2S2
Exact Mass	374.560 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QQXPAKWFCLXRJQ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
License URL
Source	https://www.chemotion-repository.net/inchikey/QQXPAKWFCLXRJQ-UHFFFAOYSA-N/NMR/1H/CDCl3/400
Version
Author	Nicole Jung
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:32:33.450451
MetadataModified	2024-09-07T12:45:13.756807
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
14451048	PubChem
The data in this table is sourced from UniChem at EBI.