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4-(1-hydroxy-3-phenylallyl)benzonitrile
SpectraBase Compound ID 9aByjWBCA4F
InChI InChI=1S/C16H13NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-11,16,18H/b11-8+
InChIKey FWHVPGQFEDZOGO-DHZHZOJOSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZYaxKYQDG8
Name 4-(1-hydroxy-3-phenylallyl)benzonitrile
Alternate Name(s) (E)-4-(1-hydroxy-3-phenylallyl)benzonitrile 4-[(E)-1-hydroxy-3-phenylprop-2-enyl]benzonitrile 4-[(E)-1-oxidanyl-3-phenyl-prop-2-enyl]benzenecarbonitrile
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Formula C16H13NO
InChI InChI=1S/C16H13NO/c17-12-14-6-9-15(10-7-14)16(18)11-8-13-4-2-1-3-5-13/h1-11,16,18H/b11-8+
InChIKey FWHVPGQFEDZOGO-DHZHZOJOSA-N
Literature Reference DOI 10.1039/c2ra01291j
Molecular Weight 235.286 g/mol
SMILES OC(\C=C\c1ccccc1)c1ccc(cc1)C#N
SPLASH splash10-053i-2790000000-3092b2107f4f961d998b
Source of Spectrum RSA-2-6009-entry18,Table1
Wiley ID 1747805