Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C28H31NO2/c30-27(24-15-6-2-7-16-24)29(28(31)25-17-8-3-9-18-25)26-19-11-10-14-23(26)21-20-22-12-4-1-5-13-22/h1,4-5,10-14,19,24-25H,2-3,6-9,15-18H2
SMILES	O=C(N(c1ccccc1C#Cc1ccccc1)C(=O)C1CCCCC1)C1CCCCC1
InChI Key	IFJMOBCQZYCOSI-UHFFFAOYSA-N
Molecular Formula	C28H31NO2
Exact Mass	413.551 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/IFJMOBCQZYCOSI-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/IFJMOBCQZYCOSI-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:23:17.498434
MetadataModified	2024-09-07T23:03:54.682265
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889734	PubChem
The data in this table is sourced from UniChem at EBI.