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2-Butenedioic acid, 2-[(2-bromo-2-propenyl)(7-methoxy-2,2-dimethyl-2H-1-benzopyran-5-yl)a mino]-, dimethyl ester
SpectraBase Compound ID 2pab5cwfqzN
InChI InChI=1S/C21H24BrNO6/c1-13(22)12-23(17(20(25)28-6)11-19(24)27-5)16-9-14(26-4)10-18-15(16)7-8-21(2,3)29-18/h7-11H,1,12H2,2-6H3/b17-11+
InChIKey YAANPMRMKVLAGN-GZTJUZNOSA-N
Mol Weight 466.33 g/mol
Molecular Formula C21H24BrNO6
Exact Mass 465.0787 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYJUb2C3o2q
Name 2-Butenedioic acid, 2-[(2-bromo-2-propenyl)(7-methoxy-2,2-dimethyl-2H-1-benzopyran-5-yl)a mino]-, dimethyl ester
CAS Registry Number 66385-12-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24BrNO6
InChI InChI=1S/C21H24BrNO6/c1-13(22)12-23(17(20(25)28-6)11-19(24)27-5)16-9-14(26-4)10-18-15(16)7-8-21(2,3)29-18/h7-11H,1,12H2,2-6H3/b17-11+
InChIKey YAANPMRMKVLAGN-GZTJUZNOSA-N
Molecular Weight 466.328 g/mol
SMILES C(\C=C/(N(c1c2c(OC(C=C2)(C)C)cc(c1)OC)CC(=C)Br)C(=O)OC)(=O)OC
SPLASH splash10-03dr-0014900000-3d21a86dd667c25e68ab
Source of Spectrum K-111-446-0
Synonyms Dimethyl (2E)-2-[(2-bromo-2-propenyl)(7-methoxy-2,2-dimethyl-2H-chromen-5-yl)amino]-2-butenedioate Dimethyl ester of ((2-bromoallyl)(7-methoxy-2,2-dimethyl-2H-chromen-5-yl)amino)maleic acid
Wiley ID 1391691