Dataset

2-(4-BROMOPHENYL)-2-OXOETHYL 9,10-BIS(TRIMETHYLSILOXY)OCTADEC-12(Z)-ENOATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004874 contains the MS mass spectrum of 2-(4-BROMOPHENYL)-2-OXOETHYL 9,10-BIS(TRIMETHYLSILOXY)OCTADEC-12(Z)-ENOATE with the InChIkey ZDQPQPNUBMCVOD-SSZFMOIBSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C32H55BrO5Si2/c1-8-9-10-11-13-16-19-30(37-39(2,3)4)31(38-40(5,6)7)20-17-14-12-15-18-21-32(35)36-26-29(34)27-22-24-28(33)25-23-27/h13,16,22-25,30-31H,8-12,14-15,17-21,26H2,1-7H3/b16-13-
SMILES C(CCCCCCC(O[Si](C)(C)C)C(O[Si](C)(C)C)CC=CCCCCC)C(OCC(c(c1)ccc(c1)Br)=O)=O
InChI Key ZDQPQPNUBMCVOD-SSZFMOIBSA-N
Molecular Formula C32H55BrO5Si2
Exact Mass 654.277 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-JP004874
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:51.560824
MetadataModified 2024-01-11T15:57:51.722206
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
101323124 PubChem
J187.480B Nikkaji
The data in this table is sourced from UniChem at EBI.