Dataset

(1S,3E,7E,11E)-CEMBRA-3,7,11-TRIENE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010633 contains the MS mass spectrum of (1S,3E,7E,11E)-CEMBRA-3,7,11-TRIENE with the InChIkey OKMQTAYLLFRHKE-UYSOGGTPSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C20H34/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,11-12,16,20H,6-7,9-10,13-15H2,1-5H3/b17-8+,18-12+,19-11+/t20-/m1/s1
SMILES CC(C1)=C([H])CCC(C)=C([H])CC([H])(CCC(C)=C([H])C1)C(C)C
InChI Key OKMQTAYLLFRHKE-UYSOGGTPSA-N
Molecular Formula C20H34
Exact Mass 274.266 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-JP010633
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:12:16.106023
MetadataModified 2025-02-09T12:50:29.817180
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
134755471 PubChem
The data in this table is sourced from UniChem at EBI.