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2,5-Cyclohexadien-1-one, 2-bromo-6-methoxy-4-(2-oxopropylidene)-
SpectraBase Compound ID FLQlHHZ2WzJ
InChI InChI=1S/C10H9BrO3/c1-6(12)3-7-4-8(11)10(13)9(5-7)14-2/h3-5H,1-2H3/b7-3+
InChIKey YIINSCTVBAKQDA-XVNBXDOJSA-N
Mol Weight 257.08 g/mol
Molecular Formula C10H9BrO3
Exact Mass 255.973507 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9AcYBuAKLBg
Name 2,5-Cyclohexadien-1-one, 2-bromo-6-methoxy-4-(2-oxopropylidene)-
Alternate Name(s) (4Z)-2-bromo-6-methoxy-4-(2-oxopropylidene)-2,5-cyclohexadien-1-one 4-Acetonylidene-2-bromo-6-methoxycyclohexa-2,5-dien-1-one
CAS Registry Number 71367-50-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9BrO3
InChI InChI=1S/C10H9BrO3/c1-6(12)3-7-4-8(11)10(13)9(5-7)14-2/h3-5H,1-2H3/b7-3+
InChIKey YIINSCTVBAKQDA-XVNBXDOJSA-N
Molecular Weight 257.083 g/mol
SMILES C1(C(=C\C(C=C1OC)=C/C(=O)C)Br)=O
SPLASH splash10-0a6r-0190000000-cca2a329c02cdc756071
Source of Spectrum KC-1979-1332-0
Wiley ID 1259202