Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C30H31NS/c1-29(2,3)21-11-15-26-24(18-21)25-19-22(30(4,5)6)12-16-27(25)31(26)23-13-9-20(10-14-23)28-8-7-17-32-28/h7-19H,1-6H3
SMILES	CC(c1ccc2c(c1)c1cc(ccc1n2c1ccc(cc1)c1cccs1)C(C)(C)C)(C)C
InChI Key	KPGRRBWOUZPPTI-UHFFFAOYSA-N
Molecular Formula	C30H31NS
Exact Mass	437.639 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/KPGRRBWOUZPPTI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/KPGRRBWOUZPPTI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Steffen Otterbach
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T01:53:39.650114
MetadataModified	2024-09-08T01:53:39.650119
MetadataPublished	2023-11-13

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
132497699	PubChem
J3.624.539E	Nikkaji
The data in this table is sourced from UniChem at EBI.