Dataset

4-N-BUTYLBENZOIC ACID METHYL ESTER; EI-B; MS

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002204 contains the MS mass spectrum of 4-N-BUTYLBENZOIC ACID METHYL ESTER with the InChIkey XJRYQLPELPLPHZ-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C12H16O2/c1-3-4-5-10-6-8-11(9-7-10)12(13)14-2/h6-9H,3-5H2,1-2H3
SMILES	CCCCc(c1)ccc(c1)C(=O)OC
InChI Key	XJRYQLPELPLPHZ-UHFFFAOYSA-N
Molecular Formula	C12H16O2
Exact Mass	192.115 g/mol

Data and Resources

4-N-BUTYLBENZOIC ACID METHYL ESTERHTML

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Related Molecule ⌄

methyl 4-butylbenzoate

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-JP002204
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	methyl 4-butylbenzoate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
1792416	surechembl
88630	pubchem
DTXSID3066637	comptox
Molport-000-147-064	molport
The data in this table is sourced from UniChem at EBI.