Dataset

(4-METHYLTHIO)BENZYL BENZOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP009675 contains the MS mass spectrum of (4-METHYLTHIO)BENZYL BENZOATE with the InChIkey PXRPPQZOKMHYRY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H14O2S/c1-18-14-9-7-12(8-10-14)11-17-15(16)13-5-3-2-4-6-13/h2-10H,11H2,1H3
SMILES CSc(c1)ccc(COC(=O)c(c2)cccc2)c1
InChI Key PXRPPQZOKMHYRY-UHFFFAOYSA-N
Molecular Formula C15H14O2S
Exact Mass 258.071 g/mol

Data and Resources

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-JP009675
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:02.973088
MetadataModified 2024-01-11T15:56:03.130460
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J354.708F Nikkaji
101588451 PubChem
The data in this table is sourced from UniChem at EBI.