Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C16H22N2O6/c19-13(4-6-15(21)22)17-9-11-2-1-3-12(8-11)10-18-14(20)5-7-16(23)24/h4-7,11-12H,1-3,8-10H2,(H,17,19)(H,18,20)(H,21,22)(H,23,24)/b6-4-,7-5-
SMILES	O=C(/C=C\C(=O)O)NCC1CCCC(C1)CNC(=O)/C=C\C(=O)O
InChI Key	BIVYBXKQJWPFNV-PEPZGXQESA-N
Molecular Formula	C16H22N2O6
Exact Mass	338.356 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/BIVYBXKQJWPFNV-PEPZGXQESA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/BIVYBXKQJWPFNV-PEPZGXQESA-N/CHMO0000470
Version
Author	hatice mutlu
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T00:55:20.093619
MetadataModified	2024-09-08T00:55:20.093625
MetadataPublished	2023-05-10

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
168059106	PubChem
The data in this table is sourced from UniChem at EBI.