Dataset

ISOOCTYL ISODECYL PHTHALATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP003313 contains the MS mass spectrum of ISOOCTYL ISODECYL PHTHALATE with the InChIkey DISOBDRLYQMQDY-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C26H42O4/c1-21(2)15-9-6-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
SMILES c(c1C(=O)OCCCCCC(C)C)(cccc1)C(=O)OCCCCCCCC(C)C
InChI Key DISOBDRLYQMQDY-UHFFFAOYSA-N
Molecular Formula C26H42O4
Exact Mass 418.308 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-JP003313
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:28.764771
MetadataModified 2024-01-11T15:57:28.926228
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
39179 PubChem
SCHEMBL2971969 SureChEMBL
DTXSID50195157 EPA CompTox Dashboard
J45.492C Nikkaji
42343-35-1 ACToR
The data in this table is sourced from UniChem at EBI.