(Z)-6-[(2,4,6-trimethylbenzoyl)oxy]-2-(bromomethyl)-2-hexenoic acid, methyl ester

SpectraBase Compound ID	Dz1vawilvpq
InChI	InChI=1S/C18H23BrO4/c1-12-9-13(2)16(14(3)10-12)18(21)23-8-6-5-7-15(11-19)17(20)22-4/h7,9-10H,5-6,8,11H2,1-4H3/b15-7+
InChIKey	QBKWNJODQYKNFV-VIZOYTHASA-N Google Search
Mol Weight	383.28 g/mol
Molecular Formula	C18H23BrO4
Exact Mass	382.077972 g/mol

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SpectraBase Spectrum ID	JoX4FEflbW3
Name	(Z)-6-[(2,4,6-trimethylbenzoyl)oxy]-2-(bromomethyl)-2-hexenoic acid, methyl ester
Alternate Name(s)	(4Z)-5-(bromomethyl)-6-methoxy-6-oxo-4-hexenyl 2,4,6-trimethylbenzoate 2,4,6-trimethylbenzoic acid[(Z)-5-(bromomethyl)-6-keto-6-methoxy-hex-4-enyl]ester 2,4,6-trimethylbenzoic acid[(Z)-5-(bromomethyl)-6-methoxy-6-oxohex-4-enyl]ester [(Z)-5-(bromomethyl)-6-methoxy-6-oxidanylidene-hex-4-enyl]2,4,6-trimethylbenzoate [(Z)-5-(bromomethyl)-6-methoxy-6-oxo-hex-4-enyl]2,4,6-trimethylbenzoate 2,4,6-trimethylbenzoic acid [(Z)-5-(bromomethyl)-6-methoxy-6-oxohex-4-enyl] ester [(Z)-5-(bromomethyl)-6-methoxy-6-oxohex-4-enyl] 2,4,6-trimethylbenzoate [(Z)-5-(bromomethyl)-6-methoxy-6-oxo-hex-4-enyl] 2,4,6-trimethylbenzoate [(Z)-5-(bromomethyl)-6-methoxy-6-oxidanylidene-hex-4-enyl] 2,4,6-trimethylbenzoate
CAS Registry Number	97592-05-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C18H23BrO4
InChI	InChI=1S/C18H23BrO4/c1-12-9-13(2)16(14(3)10-12)18(21)23-8-6-5-7-15(11-19)17(20)22-4/h7,9-10H,5-6,8,11H2,1-4H3/b15-7+
InChIKey	QBKWNJODQYKNFV-VIZOYTHASA-N
Molecular Weight	383.282 g/mol
SMILES	C(\C(=C\CCCOC(c1c(cc(cc1C)C)C)=O)CBr)(=O)OC
SPLASH	splash10-0006-0900000000-261683128b50be00ed74
Source of Spectrum	J-50-3856-17
Wiley ID	1360435