Dataset

DIMETHYL (3R*,5S*,6R*)-3-PHENYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP010255 contains the MS mass spectrum of DIMETHYL (3R,5S,6R*)-3-PHENYL-2,3,4,5,6,7-HEXAHYDROINDEN-1(H)-ONE-5,6-DICARBOXYLATE with the InChIkey ILKGAHQRSGVBBZ-UHOFOFEASA-N.

Chemical Info

molecular Image
InChI InChI=1S/C19H20O5/c1-23-18(21)15-8-13-12(11-6-4-3-5-7-11)10-17(20)14(13)9-16(15)19(22)24-2/h3-7,12,15-16H,8-10H2,1-2H3/t12-,15+,16-/m1/s1
SMILES COC(=O)C(C1)C(C(=O)OC)CC(C2c(c3)cccc3)=C1C(=O)C2
InChI Key ILKGAHQRSGVBBZ-UHOFOFEASA-N
Molecular Formula C19H20O5
Exact Mass 328.131 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-JP010255
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:56:13.138786
MetadataModified 2024-01-11T15:56:13.304532
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
13761189 PubChem
J413.893G Nikkaji
The data in this table is sourced from UniChem at EBI.