Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C21H21NO/c23-21(19-12-5-2-6-13-19)22-20-14-8-7-11-18(20)16-15-17-9-3-1-4-10-17/h1,3-4,7-11,14,19H,2,5-6,12-13H2,(H,22,23)
SMILES	O=C(C1CCCCC1)Nc1ccccc1C#Cc1ccccc1
InChI Key	QKXLAFXDZXSNOM-UHFFFAOYSA-N
Molecular Formula	C21H21NO
Exact Mass	303.398 g/mol

Data and Resources

• mass spectrometry (MS)HTML
  Explore

  • More information
  • Go to resource

• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/QKXLAFXDZXSNOM-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/QKXLAFXDZXSNOM-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:23:14.230787
MetadataModified	2024-09-07T23:03:50.333895
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889728	PubChem
The data in this table is sourced from UniChem at EBI.