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(Z)-6-(benzoyloxy)-2-(bromomethyl)-2-heptenoic acid, methyl ester
SpectraBase Compound ID 6obl3kgF5Pd
InChI InChI=1S/C16H19BrO4/c1-12(7-6-10-14(11-17)15(18)20-2)21-16(19)13-8-4-3-5-9-13/h3-5,8-10,12H,6-7,11H2,1-2H3/b14-10+
InChIKey ZBASHBQWTNAKQT-GXDHUFHOSA-N
Mol Weight 355.23 g/mol
Molecular Formula C16H19BrO4
Exact Mass 354.046672 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5TAqtwh7FqU
Name (Z)-6-(benzoyloxy)-2-(bromomethyl)-2-heptenoic acid, methyl ester
Alternate Name(s) (4Z)-5-(bromomethyl)-6-methoxy-1-methyl-6-oxo-4-hexenyl benzoate benzoic acid[(Z)-5-(bromomethyl)-6-keto-6-methoxy-1-methyl-hex-4-enyl]ester benzoic acid[(Z)-6-(bromomethyl)-7-methoxy-7-oxohept-5-en-2-yl]ester [(Z)-5-(bromomethyl)-6-methoxy-1-methyl-6-oxo-hex-4-enyl]benzoate [(Z)-6-(bromomethyl)-7-methoxy-7-oxidanylidene-hept-5-en-2-yl]benzoate [(Z)-6-(bromomethyl)-7-methoxy-7-oxohept-5-en-2-yl]benzoate benzoic acid [(Z)-6-(bromomethyl)-7-methoxy-7-oxohept-5-en-2-yl] ester [(Z)-6-(bromomethyl)-7-methoxy-7-oxohept-5-en-2-yl] benzoate [(Z)-5-(bromomethyl)-6-methoxy-1-methyl-6-oxo-hex-4-enyl] benzoate [(Z)-6-(bromomethyl)-7-methoxy-7-oxidanylidene-hept-5-en-2-yl] benzoate
CAS Registry Number 87050-33-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H19BrO4
InChI InChI=1S/C16H19BrO4/c1-12(7-6-10-14(11-17)15(18)20-2)21-16(19)13-8-4-3-5-9-13/h3-5,8-10,12H,6-7,11H2,1-2H3/b14-10+
InChIKey ZBASHBQWTNAKQT-GXDHUFHOSA-N
Molecular Weight 355.228 g/mol
SMILES C(\C(=C\CCC(OC(=O)c1ccccc1)C)CBr)(=O)OC
SPLASH splash10-0a4i-3900000000-af23f55c01fa82c36cd8
Source of Spectrum J-50-3856-17
Wiley ID 1344331