Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H14N2O3/c24-21(18-12-14-19(15-13-18)23(25)26)22-20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-9,12-15H,(H,22,24)
SMILES	O=C(c1ccc(cc1)[N+](=O)[O-])Nc1ccccc1C#Cc1ccccc1
InChI Key	RMRHGQYTMOGKAU-UHFFFAOYSA-N
Molecular Formula	C21H14N2O3
Exact Mass	342.347 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/RMRHGQYTMOGKAU-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/RMRHGQYTMOGKAU-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:07:27.496880
MetadataModified	2024-09-08T00:02:02.031085
MetadataPublished	2022-12-19

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
72695894	PubChem
The data in this table is sourced from UniChem at EBI.