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VHKNISXZWLTRMQ-UHFFFAOYSA-N
SpectraBase Compound ID 8jBlFke3Vkr
InChI InChI=1S/C10H7Br2NO3/c1-6(14)16-10(2-3-13)4-7(11)9(15)8(12)5-10/h4-5H,2H2,1H3
InChIKey VHKNISXZWLTRMQ-UHFFFAOYSA-N
Mol Weight 348.98 g/mol
Molecular Formula C10H7Br2NO3
Exact Mass 346.879269 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KUls6GUqOjN
Name 2,5-Cyclohexadiene-1-acetonitrile, 1-(acetyloxy)-3,5-dibromo-4-oxo-
CAS Registry Number 84713-43-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7Br2NO3
InChI InChI=1S/C10H7Br2NO3/c1-6(14)16-10(2-3-13)4-7(11)9(15)8(12)5-10/h4-5H,2H2,1H3
InChIKey VHKNISXZWLTRMQ-UHFFFAOYSA-N
Molecular Weight 348.978 g/mol
SMILES C1(C(=CC(C=C1Br)(OC(=O)C)CC#N)Br)=O
SPLASH splash10-000f-9071000000-beae480472a4118785b4
Source of Spectrum B-40-345-7
Synonyms 3,5-Dibromo-1-acetoxy-4-oxo-2,5-cyclohexadiene-1-acetonitrile Dienone A Acetic acid [3,5-dibromo-1-(cyanomethyl)-4-oxo-1-cyclohexa-2,5-dienyl] ester [3,5-dibromo-1-(cyanomethyl)-4-oxocyclohexa-2,5-dien-1-yl] acetate [3,5-dibromo-1-(cyanomethyl)-4-oxo-cyclohexa-2,5-dien-1-yl] acetate [3,5-bis(bromanyl)-1-(cyanomethyl)-4-oxidanylidene-cyclohexa-2,5-dien-1-yl] ethanoate
Wiley ID 1339823