Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H33NS/c1-29(2,3)23-11-17-26(18-12-23)31(27-19-13-24(14-20-27)30(4,5)6)25-15-9-22(10-16-25)28-8-7-21-32-28/h7-21H,1-6H3
SMILES	CC(c1ccc(cc1)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)c1cccs1)(C)C
InChI Key	LDUMPODWXYLKDP-UHFFFAOYSA-N
Molecular Formula	C30H33NS
Exact Mass	439.655 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/LDUMPODWXYLKDP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/LDUMPODWXYLKDP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:55:49.539350
MetadataModified	2024-09-08T01:55:49.539356
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
139256204	PubChem
The data in this table is sourced from UniChem at EBI.