Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C17H22O2/c1-4-5-6-7-8-14-11-15-12(2)9-10-13(3)16(15)19-17(14)18/h9-11H,4-8H2,1-3H3
SMILES	CCCCCCc1cc2c(C)ccc(c2oc1=O)C
InChI Key	NZOBKJXHRITAJF-UHFFFAOYSA-N
Molecular Formula	C17H22O2
Exact Mass	258.355 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/NZOBKJXHRITAJF-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/NZOBKJXHRITAJF-UHFFFAOYSA-N/CHMO0000470
Version
Author	Florian Mohr
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:17:51.189167
MetadataModified	2024-09-07T19:27:23.888435
MetadataPublished	2021-03-01
Related Molecule

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
138453896	PubChem
The data in this table is sourced from UniChem at EBI.