Dataset

1,6-DIMETHYL-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP005553 contains the MS mass spectrum of 1,6-DIMETHYL-3,4-BENZO-2-OXABICYCLO(4.1.0)HEPT-3-EN-5-ONE with the InChIkey IKUPBRUXXGSVLP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C12H12O2/c1-11-7-12(11,2)14-9-6-4-3-5-8(9)10(11)13/h3-6H,7H2,1-2H3
SMILES c(c3)cc(O1)c(c3)C(=O)C(C)(C2)C(C)12
InChI Key IKUPBRUXXGSVLP-UHFFFAOYSA-N
Molecular Formula C12H12O2
Exact Mass 188.084 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-JP005553
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:06.108700
MetadataModified 2024-01-11T15:57:06.274370
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
J184.296J Nikkaji
101320239 PubChem
The data in this table is sourced from UniChem at EBI.