Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C18H14N2O2/c1-3-13-21-17-9-5-15(6-10-17)19-20-16-7-11-18(12-8-16)22-14-4-2/h1-2,5-12H,13-14H2/b20-19+
SMILES	C#CCOc1ccc(cc1)/N=N/c1ccc(cc1)OCC#C
InChI Key	JODUWSZJDOLQRB-FMQUCBEESA-N
Molecular Formula	C18H14N2O2
Exact Mass	290.316 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/JODUWSZJDOLQRB-FMQUCBEESA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/JODUWSZJDOLQRB-FMQUCBEESA-N/Mass/EI
Version
Author	Katharina Peschko
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:57:21.858272
MetadataModified	2024-09-07T13:22:10.766280
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
J2.651.927F	Nikkaji
The data in this table is sourced from UniChem at EBI.