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3-(4-hydroxy-2-hydroxymethylphenylethynyl)-2-methylcyclohex-2-enone

View entire compound with spectra: 1 MS (GC)

3-(4-hydroxy-2-hydroxymethylphenylethynyl)-2-methylcyclohex-2-enone
SpectraBase Compound ID 93YG3zGuxba
InChI InChI=1S/C16H16O3/c1-11-12(3-2-4-16(11)19)5-6-13-7-8-15(18)9-14(13)10-17/h7-9,17-18H,2-4,10H2,1H3
InChIKey TUPCSAXIFBMPIZ-UHFFFAOYSA-N
Mol Weight 256.3 g/mol
Molecular Formula C16H16O3
Exact Mass 256.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Glemc6yudjT
Name 3-(4-hydroxy-2-hydroxymethylphenylethynyl)-2-methylcyclohex-2-enone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O3
InChI InChI=1S/C16H16O3/c1-11-12(3-2-4-16(11)19)5-6-13-7-8-15(18)9-14(13)10-17/h7-9,17-18H,2-4,10H2,1H3
InChIKey TUPCSAXIFBMPIZ-UHFFFAOYSA-N
Molecular Weight 256.301 g/mol
SMILES Oc1ccc(c(CO)c1)C#CC1=C(C(=O)CCC1)C
SPLASH splash10-052f-9770000000-5e25b19e0b48ac7c2550
Source of Spectrum F4-41-2059-3p
Wiley ID 1672494