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Carbamic acid, [2-[3-bromo-1-(dibromomethyl)-1-propenyl]phenyl]-, methyl ester, (E)-
SpectraBase Compound ID KGuaWMmKgQk
InChI InChI=1S/C12H12Br3NO2/c1-18-12(17)16-10-5-3-2-4-8(10)9(6-7-13)11(14)15/h2-6,11H,7H2,1H3,(H,16,17)/b9-6+
InChIKey FIFWWYQABHJBNO-RMKNXTFCSA-N
Mol Weight 441.95 g/mol
Molecular Formula C12H12Br3NO2
Exact Mass 438.841818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AJLmu9yelvc
Name Carbamic acid, [2-[3-bromo-1-(dibromomethyl)-1-propenyl]phenyl]-, methyl ester, (E)-
CAS Registry Number 113318-87-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12Br3NO2
InChI InChI=1S/C12H12Br3NO2/c1-18-12(17)16-10-5-3-2-4-8(10)9(6-7-13)11(14)15/h2-6,11H,7H2,1H3,(H,16,17)/b9-6+
InChIKey FIFWWYQABHJBNO-RMKNXTFCSA-N
Molecular Weight 441.945 g/mol
SMILES N(C(=O)OC)c1c(\C(C(Br)Br)=C/CBr)cccc1
SPLASH splash10-00dl-0890000000-bf0ed8a8b9addd685f31
Source of Spectrum KC-1987-1543-0
Synonyms (E)-1,1,4-Tribromo-2-(2-methoxycarbonylaminophenyl)but-2-ene Methyl 2-[(1E)-3-bromo-1-(dibromomethyl)-1-propenyl]phenylcarbamate
Wiley ID 1384358