Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C35H38O5/c36-35(31-15-19-33(20-16-31)39-25-9-7-23-37-27-29-11-3-1-4-12-29)32-17-21-34(22-18-32)40-26-10-8-24-38-28-30-13-5-2-6-14-30/h1-6,11-22H,7-10,23-28H2
SMILES	O=C(c1ccc(cc1)OCCCCOCc1ccccc1)c1ccc(cc1)OCCCCOCc1ccccc1
InChI Key	XHZHVHMQWMDSMO-UHFFFAOYSA-N
Molecular Formula	C35H38O5
Exact Mass	538.673 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XHZHVHMQWMDSMO-UHFFFAOYSA-N/Mass/EI.1
License URL
Source	https://www.chemotion-repository.net/inchikey/XHZHVHMQWMDSMO-UHFFFAOYSA-N/Mass/EI.1
Version
Author	Frederic Witkind Hirth
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T21:20:03.309838
MetadataModified	2024-09-07T13:45:32.706837
MetadataPublished	2014-08-19

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
77014273	PubChem
The data in this table is sourced from UniChem at EBI.