Ethyl 6-(3-Butynyloxy)-8,9-dimethoxy-3-oxo-3H-pyran[2,3-c]isoquinoline-2-carboxylate

SpectraBase Compound ID	LGeDPb9kuMW
InChI	InChI=1S/C21H19NO7/c1-5-7-8-28-18-14-11-17(26-4)16(25-3)10-12(14)13-9-15(20(23)27-6-2)21(24)29-19(13)22-18/h1,9-11H,6-8H2,2-4H3
InChIKey	TWBRODCWTBJRIF-UHFFFAOYSA-N Google Search
Mol Weight	397.38 g/mol
Molecular Formula	C21H19NO7
Exact Mass	397.116152 g/mol

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SpectraBase Spectrum ID	DzPupstpKGc
Name	Ethyl 6-(3-Butynyloxy)-8,9-dimethoxy-3-oxo-3H-pyran[2,3-c]isoquinoline-2-carboxylate
Comments	Less than 3 mono-isotopic peaks
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H19NO7
InChI	InChI=1S/C21H19NO7/c1-5-7-8-28-18-14-11-17(26-4)16(25-3)10-12(14)13-9-15(20(23)27-6-2)21(24)29-19(13)22-18/h1,9-11H,6-8H2,2-4H3
InChIKey	TWBRODCWTBJRIF-UHFFFAOYSA-N
Molecular Weight	397.383 g/mol
SMILES	C=1(C(Oc2c(C1)c1c(c(OCCC#C)n2)cc(c(c1)OC)OC)=O)C(=O)OCC
SPLASH	splash10-014i-0903000000-5b121ce4bc402a8dcc52
Source of Spectrum	J-61-1653-8
Synonyms	ethyl 6-(3-butynyloxy)-8,9-dimethoxy-3-oxo-3H-pyrano[2,3-c]isoquinoline-2-carboxylate
Wiley ID	1367950