Dataset

high-resolution mass spectrometry (HRMS)

dataset for high-resolution mass spectrometry (HRMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C42H42O4/c1-25(2)45-41(43)35-17-13-33(14-18-35)39-23-27(5)37(21-29(39)7)31-9-11-32(12-10-31)38-22-30(8)40(24-28(38)6)34-15-19-36(20-16-34)42(44)46-26(3)4/h9-26H,1-8H3
SMILES CC(OC(=O)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)c1cc(C)c(cc1C)c1ccc(cc1)C(=O)OC(C)C)C
InChI Key MIMFCGSADKSMFC-UHFFFAOYSA-N
Molecular Formula C42H42O4
Exact Mass 610.780 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/MIMFCGSADKSMFC-UHFFFAOYSA-N/CHMO0000498
License URL
Source https://www.chemotion-repository.net/inchikey/MIMFCGSADKSMFC-UHFFFAOYSA-N/CHMO0000498
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T03:33:19.096017
MetadataModified 2024-09-07T18:29:45.102116
MetadataPublished 2020-08-08
Field Value
Measurement Technique high-resolution mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
146681772 PubChem
The data in this table is sourced from UniChem at EBI.