Dataset

electron ionisation mass spectrometry (EI-MS)

Chemical Info

InChI	InChI=1S/C17H20O2/c1-17(2,3)13-9-11-14(12-10-13)19-16-8-6-5-7-15(16)18-4/h5-12H,1-4H3
SMILES	COc1ccccc1Oc1ccc(cc1)C(C)(C)C
InChI Key	NEIUJSAHXLHKHK-UHFFFAOYSA-N
Molecular Formula	C17H20O2
Exact Mass	256.339 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NEIUJSAHXLHKHK-UHFFFAOYSA-N/Mass/EI
License URL
Source	https://www.chemotion-repository.net/inchikey/NEIUJSAHXLHKHK-UHFFFAOYSA-N/Mass/EI
Version
Author	Simone Gräßle
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:39:56.570508
MetadataModified	2024-09-07T12:56:09.974847
MetadataPublished	2014-05-27

Field	Value
Measurement Technique	electron ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
11145775	PubChem
J1.107.208I	Nikkaji
The data in this table is sourced from UniChem at EBI.