Dataset

DIMETHYL CIS-3,3-DIMETHYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010249 contains the MS mass spectrum of DIMETHYL CIS-3,3-DIMETHYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE with the InChIkey PZZYXESBDRVCNH-DTWKUNHWSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C15H20O5/c1-15(2)7-12(16)10-5-8(13(17)19-3)9(6-11(10)15)14(18)20-4/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
SMILES COC(=O)[C@@]([H])(C1)[C@]([H])(C(=O)OC)CC(C(C)(C)2)=C(C(=O)C2)1
InChI Key PZZYXESBDRVCNH-DTWKUNHWSA-N
Molecular Formula C15H20O5
Exact Mass 280.131 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-JP010249
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:55:48.793929
MetadataModified 2024-01-11T15:55:48.975690
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
13761180 PubChem
J414.302G Nikkaji
The data in this table is sourced from UniChem at EBI.