Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C36H36O12/c1-7-43-31(37)25-13-19-20(14-26(25)32(38)44-8-2)22-16-28(34(40)46-10-4)30(36(42)48-12-6)18-24(22)23-17-29(35(41)47-11-5)27(15-21(19)23)33(39)45-9-3/h13-18H,7-12H2,1-6H3
SMILES	CCOC(=O)c1cc2c(cc1C(=O)OCC)c1cc(C(=O)OCC)c(cc1c1c2cc(C(=O)OCC)c(c1)C(=O)OCC)C(=O)OCC
InChI Key	GYQQXPYOCWWILU-UHFFFAOYSA-N
Molecular Formula	C36H36O12
Exact Mass	660.664 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GYQQXPYOCWWILU-UHFFFAOYSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/GYQQXPYOCWWILU-UHFFFAOYSA-N/Mass/EI
Version
Author	Isabelle Wessely
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:57:51.311445
MetadataModified	2024-09-07T13:22:54.206748
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
73427489	PubChem
J3.114.847B	Nikkaji
The data in this table is sourced from UniChem at EBI.