Dataset

8-benzyl-9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline; LC-ESI-QTOF; MS; POSITIVE

This MassBank record with Accession MSBNK-Washington_State_Univ-BML80625 contains the MS mass spectrum of 8-benzyl-9,10-dimethoxy-5,8-dihydro-6H-[1,3]dioxolo[4,5-g]isoquino[3,2-a]isoquinoline with the InChIkey NCGZRLGSEHVTTI-UHFFFAOYSA-N.

Chemical Information

InChI	InChI=1S/C27H25NO4/c1-29-23-9-8-19-13-21-20-15-25-24(31-16-32-25)14-18(20)10-11-28(21)22(26(19)27(23)30-2)12-17-6-4-3-5-7-17/h3-9,13-15,22H,10-12,16H2,1-2H3
SMILES	COC1=C(C2=C(C=C1)C=C3C4=CC5=C(C=C4CCN3C2CC6=CC=CC=C6)OCO5)OC
InChI Key	NCGZRLGSEHVTTI-UHFFFAOYSA-N
Molecular Formula	C27H25NO4
Exact Mass	427.178 g/mol

Data and Resources

8-benzyl-9,10-dimethoxy-5,8-dihydro-6H-[1,3]dio...HTML

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Related Molecule ⌄

14-benzyl-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene

Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML80625
Version
Author
Maintainer
Language
MetadataPublished	2016-01-19
Related Molecule	14-benzyl-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,15(20),16,18-heptaene

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.