Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H25NO/c1-2-3-18-26(28)27(21-23-14-8-5-9-15-23)25-17-11-10-16-24(25)20-19-22-12-6-4-7-13-22/h4-17H,2-3,18,21H2,1H3
SMILES	CCCCC(=O)N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1
InChI Key	MHRUBCNKJUDANP-UHFFFAOYSA-N
Molecular Formula	C26H25NO
Exact Mass	367.483 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/MHRUBCNKJUDANP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/MHRUBCNKJUDANP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:14:07.642694
MetadataModified	2024-09-07T22:51:40.309615
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889687	PubChem
The data in this table is sourced from UniChem at EBI.