Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C19H18N2O3S2/c1-23-18(22)17(19-25-12-5-13-26-19)21-20-14-8-10-16(11-9-14)24-15-6-3-2-4-7-15/h2-4,6-11H,5,12-13H2,1H3/b21-20+
SMILES	COC(=O)C(=C1SCCCS1)/N=N/c1ccc(cc1)Oc1ccccc1
InChI Key	RFHSRTPLKAZEEX-QZQOTICOSA-N
Molecular Formula	C19H18N2O3S2
Exact Mass	386.488 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RFHSRTPLKAZEEX-QZQOTICOSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/RFHSRTPLKAZEEX-QZQOTICOSA-N/Mass/EI
Version
Author	Bettina Stanek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:53:46.568143
MetadataModified	2024-09-07T13:16:43.595250
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J3.268.936A	Nikkaji
The data in this table is sourced from UniChem at EBI.