Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C28H27NO/c30-28(26-17-8-3-9-18-26)29(22-24-14-6-2-7-15-24)27-19-11-10-16-25(27)21-20-23-12-4-1-5-13-23/h1-2,4-7,10-16,19,26H,3,8-9,17-18,22H2
SMILES	O=C(N(c1ccccc1C#Cc1ccccc1)Cc1ccccc1)C1CCCCC1
InChI Key	CSZZTDUUJOINIP-UHFFFAOYSA-N
Molecular Formula	C28H27NO
Exact Mass	393.520 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/CSZZTDUUJOINIP-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CSZZTDUUJOINIP-UHFFFAOYSA-N/CHMO0000470
Version
Author	Helena Šimek
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:22:11.915322
MetadataModified	2024-09-07T23:02:25.626785
MetadataPublished	2022-09-15

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
164889696	PubChem
The data in this table is sourced from UniChem at EBI.