Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C28H20N2O3/c31-28(25-17-19-26(20-18-25)30(32)33)29(21-23-11-5-2-6-12-23)27-14-8-7-13-24(27)16-15-22-9-3-1-4-10-22/h1-14,17-20H,21H2
SMILES	O=C(N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]
InChI Key	WDWZTSXQVCSPCV-UHFFFAOYSA-N
Molecular Formula	C28H20N2O3
Exact Mass	432.470 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/WDWZTSXQVCSPCV-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WDWZTSXQVCSPCV-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:06:06.471606
MetadataModified	2024-09-08T00:00:18.259338
MetadataPublished	2022-12-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166175711	PubChem
The data in this table is sourced from UniChem at EBI.