Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C24H28N2O5/c1-13-20(25-22(28)31-23(2,3)4)19-17(11-14(29-5)12-18(19)30-6)24(13)16-10-8-7-9-15(16)21(27)26-24/h7-13,20H,1-6H3,(H,25,28)(H,26,27)/t13-,20-,24+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)OC(C)(C)C)C
InChI Key	SZDDBJUCKXVGLQ-FYGPSGDNSA-N
Molecular Formula	C24H28N2O5
Exact Mass	424.490 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SZDDBJUCKXVGLQ-FYGPSGDNSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/SZDDBJUCKXVGLQ-FYGPSGDNSA-N/CHMO0000473
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:05:45.398858
MetadataModified	2024-09-08T02:05:45.398864
MetadataPublished	2023-12-15
Related Molecule

Field	Value
Measurement Technique	atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169452740	PubChem
The data in this table is sourced from UniChem at EBI.