Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C18H18O4/c1-11-9-13(17(19)21-3)5-7-15(11)16-8-6-14(10-12(16)2)18(20)22-4/h5-10H,1-4H3
SMILES	COC(=O)c1ccc(c(c1)C)c1ccc(cc1C)C(=O)OC
InChI Key	TUPFBJSZMWZFOO-UHFFFAOYSA-N
Molecular Formula	C18H18O4
Exact Mass	298.333 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/TUPFBJSZMWZFOO-UHFFFAOYSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/TUPFBJSZMWZFOO-UHFFFAOYSA-N/Mass/EI
Version
Author	Sylvain Grosjean
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T22:50:24.300953
MetadataModified	2024-09-07T12:05:38.887385
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
73427287	PubChem
SCHEMBL16937873	SureChEMBL
LOGMOM	CCDC
J1.341.538B	Nikkaji
The data in this table is sourced from UniChem at EBI.