Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C19H19NO/c1-2-3-13-19(21)20-18-12-8-7-11-17(18)15-14-16-9-5-4-6-10-16/h4-12H,2-3,13H2,1H3,(H,20,21)
SMILES	CCCCC(=O)Nc1ccccc1C#Cc1ccccc1
InChI Key	MIGIZIASSXHPSE-UHFFFAOYSA-N
Molecular Formula	C19H19NO
Exact Mass	277.360 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/MIGIZIASSXHPSE-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MIGIZIASSXHPSE-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:13:40.456842
MetadataModified	2024-09-07T22:51:03.472387
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889686	PubChem
The data in this table is sourced from UniChem at EBI.