Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C29H24S2/c1-3-11-22(12-4-1)24-15-7-9-17-26(24)30-28-19-29(20-28,21-28)31-27-18-10-8-16-25(27)23-13-5-2-6-14-23/h1-18H,19-21H2
SMILES	c1ccc(cc1)c1ccccc1SC12CC(C1)(C2)Sc1ccccc1c1ccccc1
InChI Key	PINRSYZIAIUFQE-UHFFFAOYSA-N
Molecular Formula	C29H24S2
Exact Mass	436.631 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PINRSYZIAIUFQE-UHFFFAOYSA-N/Mass.1
License URL
Source	https://www.chemotion-repository.net/inchikey/PINRSYZIAIUFQE-UHFFFAOYSA-N/Mass.1
Version
Author	Robin Bär
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:51:38.376831
MetadataModified	2024-09-07T14:45:44.607867
MetadataPublished	2019-02-11

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
137331336	PubChem
The data in this table is sourced from UniChem at EBI.