Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C21H17BrN2S2/c22-18-11-12-19(17-10-5-4-9-16(17)18)23-24-20(15-7-2-1-3-8-15)21-25-13-6-14-26-21/h1-5,7-12H,6,13-14H2/b24-23+
SMILES	Brc1ccc(c2c1cccc2)/N=N/C(=C1SCCCS1)c1ccccc1
InChI Key	PVNJZYMWNGXTBA-WCWDXBQESA-N
Molecular Formula	C21H17BrN2S2
Exact Mass	441.407 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/PVNJZYMWNGXTBA-WCWDXBQESA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/PVNJZYMWNGXTBA-WCWDXBQESA-N/Mass/EI
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:45:40.301642
MetadataModified	2024-09-07T12:14:36.291256
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.