Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C30H29NO7/c1-2-35-28(33)30(38-27(32)22-13-7-4-8-14-22)17-9-15-24-23(30)19-25(26-16-10-18-36-26)31(24)29(34)37-20-21-11-5-3-6-12-21/h3-16,18,23-25H,2,17,19-20H2,1H3/t23-,24-,25-,30?/m0/s1
SMILES	CCOC(=O)C1(CC=C[C@H]2[C@@H]1C[C@H](N2C(=O)OCc1ccccc1)c1ccco1)OC(=O)c1ccccc1
InChI Key	CGUNOOUGHJORRL-GKJNDNOASA-N
Molecular Formula	C30H29NO7
Exact Mass	515.554 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/CGUNOOUGHJORRL-GKJNDNOASA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/CGUNOOUGHJORRL-GKJNDNOASA-N/Mass/EI
Version
Author	Paul Sauter
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T00:08:44.507041
MetadataModified	2024-09-07T13:39:05.609810
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
73427515	PubChem
The data in this table is sourced from UniChem at EBI.