Dataset

7-HYDROXYOCTAHYDRO-3-METHYLENE-1-BENZOFRAN-2-ONE

This MassBank record with Accession MSBNK-Fac_Eng_Univ_Tokyo-JP004575 contains the MS mass spectrum of 7-HYDROXYOCTAHYDRO-3-METHYLENE-1-BENZOFRAN-2-ONE with the InChIkey LBZLIYFBRVMLEG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H12O3/c1-5-6-3-2-4-7(10)8(6)12-9(5)11/h6-8,10H,1-4H2
SMILES OC(C2)C(O1)C(CC2)C(=C)C(=O)1
InChI Key LBZLIYFBRVMLEG-UHFFFAOYSA-N
Molecular Formula C9H12O3
Exact Mass 168.079 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-JP004575
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T15:57:34.064229
MetadataModified 2024-01-11T15:57:34.243888
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
321495 PubChem
J45.024C Nikkaji
The data in this table is sourced from UniChem at EBI.