Dataset

4-OCTYLOXYBENZOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004240 contains the MS mass spectrum of 4-OCTYLOXYBENZOIC ACID METHYL ESTER with the InChIkey JCVLYBQFVTYGKT-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C16H24O3/c1-3-4-5-6-7-8-13-19-15-11-9-14(10-12-15)16(17)18-2/h9-12H,3-8,13H2,1-2H3
SMILES	CCCCCCCCOc(c1)ccc(c1)C(=O)OC
InChI Key	JCVLYBQFVTYGKT-UHFFFAOYSA-N
Molecular Formula	C16H24O3
Exact Mass	264.173 g/mol

Data and Resources

4-OCTYLOXYBENZOIC ACID METHYL ESTERHTML

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Related Molecule ⌄

methyl 4-octoxybenzoate

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fac_Eng_Univ_Tokyo-JP004240
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	methyl 4-octoxybenzoate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
3051368	surechembl
2736917	pubchem
DTXSID00371702	comptox
Molport-001-767-972	molport
The data in this table is sourced from UniChem at EBI.