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4H-Pyrano[2,3-h]quinoline-2-carboxylic acid, 3-(2-bromo-2-propenyl)-1,8-dihydro-5-methoxy-8,8-dimethyl-4-oxo-, methyl ester

View entire compound with spectra: 1 MS (GC)

4H-Pyrano[2,3-h]quinoline-2-carboxylic acid, 3-(2-bromo-2-propenyl)-1,8-dihydro-5-methoxy-8,8-dimethyl-4-oxo-, methyl ester
SpectraBase Compound ID 19yoaW1P9sG
InChI InChI=1S/C20H20BrNO5/c1-10(21)8-12-17(19(24)26-5)22-16-11-6-7-20(2,3)27-13(11)9-14(25-4)15(16)18(12)23/h6-7,9H,1,8H2,2-5H3,(H,22,23)
InChIKey YBZNVCXVXZDKLO-UHFFFAOYSA-N
Mol Weight 434.29 g/mol
Molecular Formula C20H20BrNO5
Exact Mass 433.052486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51Uf5uSpAQW
Name 4H-Pyrano[2,3-h]quinoline-2-carboxylic acid, 3-(2-bromo-2-propenyl)-1,8-dihydro-5-methoxy-8,8-dimethyl-4-oxo-, methyl ester
CAS Registry Number 66385-15-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20BrNO5
InChI InChI=1S/C20H20BrNO5/c1-10(21)8-12-17(19(24)26-5)22-16-11-6-7-20(2,3)27-13(11)9-14(25-4)15(16)18(12)23/h6-7,9H,1,8H2,2-5H3,(H,22,23)
InChIKey YBZNVCXVXZDKLO-UHFFFAOYSA-N
Molecular Weight 434.286 g/mol
SMILES N1C(=C(C(c2c(cc3c(c12)C=CC(O3)(C)C)OC)=O)CC(=C)Br)C(=O)OC
SPLASH splash10-00xr-0001900000-f972d817b5d9d0390d38
Source of Spectrum K-111-447-0
Synonyms Methyl 3-(2-bromo-2-propenyl)-5-methoxy-8,8-dimethyl-4-oxo-1,8-dihydro-4H-pyrano[2,3-h]quinoline-2-carboxylate Methyl ester of 3-(2-bromoallyl)-5-methoxy-8,8-dimethyl-4-oxo-1,8-dihydro-4H-pyrano(2,3-h)quinolin-2-carboxylic acid
Wiley ID 1382621