Dataset

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

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP002159 contains the MS mass spectrum of 4-BUTOXYBENZOIC ACID METHYL ESTER with the InChIkey PUHCYTHGLBCWEA-UHFFFAOYSA-N.

Chemical Information

molecular Image

InChI	InChI=1S/C12H16O3/c1-3-4-9-15-11-7-5-10(6-8-11)12(13)14-2/h5-8H,3-4,9H2,1-2H3
SMILES	CCCCOc(c1)ccc(c1)C(=O)OC
InChI Key	PUHCYTHGLBCWEA-UHFFFAOYSA-N
Molecular Formula	C12H16O3
Exact Mass	208.110 g/mol

Data and Resources

4-BUTOXYBENZOIC ACID METHYL ESTERHTML

Go to source

Related Molecule ⌄

methyl 4-butoxybenzoate

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-JP002159
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	methyl 4-butoxybenzoate

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
7937774	surechembl
4226083	pubchem
DTXSID40401012	comptox
Molport-001-508-469	molport
The data in this table is sourced from UniChem at EBI.