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2,2-Dibromo-3-hydroxy-5-phenyl-4-pentenenitrile
SpectraBase Compound ID Cb33735OC7H
InChI InChI=1S/C11H9Br2NO/c12-11(13,8-14)10(15)7-6-9-4-2-1-3-5-9/h1-7,10,15H/b7-6+
InChIKey SJRWJLZVUUSQKN-VOTSOKGWSA-N
Mol Weight 331.01 g/mol
Molecular Formula C11H9Br2NO
Exact Mass 328.90509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ZDF8siXpg7
Name 2,2-Dibromo-3-hydroxy-5-phenyl-4-pentenenitrile
Alternate Name(s) (4E)-2,2-dibromo-3-hydroxy-5-phenyl-4-pentenenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C11H9Br2NO
InChI InChI=1S/C11H9Br2NO/c12-11(13,8-14)10(15)7-6-9-4-2-1-3-5-9/h1-7,10,15H/b7-6+
InChIKey SJRWJLZVUUSQKN-VOTSOKGWSA-N
Molecular Weight 331.007 g/mol
SMILES OC(C(C#N)(Br)Br)\C=C\c1ccccc1
SPLASH splash10-001i-0709000000-f99e0a20f743485d4f68
Source of Spectrum F-52-2811-8
Wiley ID 795468