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2-Methyl-4-(4'-cyanophenyl)-3-butyn-2-ol
SpectraBase Compound ID 4J3u9vIENDF
InChI InChI=1S/C12H11NO/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,14H,1-2H3
InChIKey TVANBECCZHGWDQ-UHFFFAOYSA-N
Mol Weight 185.23 g/mol
Molecular Formula C12H11NO
Exact Mass 185.084064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7hDPdP1pjs
Name 2-Methyl-4-(4'-cyanophenyl)-3-butyn-2-ol
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H11NO
InChI InChI=1S/C12H11NO/c1-12(2,14)8-7-10-3-5-11(9-13)6-4-10/h3-6,14H,1-2H3
InChIKey TVANBECCZHGWDQ-UHFFFAOYSA-N
Instrument Name Thermoquest Trace GC-MS 2000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.10.36
Molecular Weight 185.226 g/mol
SMILES OC(C#Cc1ccc(cc1)C#N)(C)C
SPLASH splash10-03di-8900000000-f827a891a10c4b77354d
Source of Spectrum BJO-10-SM14-2q
Wiley ID 1854112