Dataset

electrospray ionisation mass spectrometry (ESMS)

Chemical Info

InChI	InChI=1S/C18H22O4/c1-20-18(13-3-2-4-16(19)10-13)17(21-22-18)14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15,19H,5-9H2,1H3
SMILES	COC1(OOC21C1CC3CC2CC(C1)C3)c1cccc(c1)O
InChI Key	RVRTXMFVLYHVQX-UHFFFAOYSA-N
Molecular Formula	C18H22O4
Exact Mass	302.365 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/RVRTXMFVLYHVQX-UHFFFAOYSA-N/CHMO0000482
License URL
Source	https://www.chemotion-repository.net/inchikey/RVRTXMFVLYHVQX-UHFFFAOYSA-N/CHMO0000482
Version
Author	Nilima Manoj Kumar
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:23:47.158714
MetadataModified	2024-09-07T22:01:49.644385
MetadataPublished	2022-04-15

Field	Value
Measurement Technique	electrospray ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
11077506	PubChem
SCHEMBL7543788	SureChEMBL
The data in this table is sourced from UniChem at EBI.