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Racemic 1-hydroxy-1,4-diphenylbut-3-yne-2-one
SpectraBase Compound ID BzX8IeqAwYT
InChI InChI=1S/C16H12O2/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10,16,18H/t16-/m1/s1
InChIKey CRRFAKAFEUXHLN-MRXNPFEDSA-N
Mol Weight 236.27 g/mol
Molecular Formula C16H12O2
Exact Mass 236.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ikGLW4MWUn
Name Racemic 1-hydroxy-1,4-diphenylbut-3-yne-2-one
Alternate Name(s) (R)-1-hydroxy-1,4-diphenylbut-3-yn-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O2
InChI InChI=1S/C16H12O2/c17-15(12-11-13-7-3-1-4-8-13)16(18)14-9-5-2-6-10-14/h1-10,16,18H/t16-/m1/s1
InChIKey CRRFAKAFEUXHLN-MRXNPFEDSA-N
Literature Reference DOI 10.1021/ol1024053
Molecular Weight 236.270 g/mol
SMILES O[C@](c1ccccc1)(C(=O)C#Cc1ccccc1)[H]
SPLASH splash10-0kai-1900000000-8c68040c672b0881dd7d
Source of Spectrum A1-13-26/SMS59-10
Wiley ID 1749766