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1-o-Tolylpent-4-en-2-ol
SpectraBase Compound ID KFlji1YKFxm
InChI InChI=1S/C12H16O/c1-3-6-12(13)9-11-8-5-4-7-10(11)2/h3-5,7-8,12-13H,1,6,9H2,2H3
InChIKey NFLSHBUWCFHFOW-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4EcLKq1EAwR
Name 1-o-Tolylpent-4-en-2-ol
Appearance Oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.120115134 u
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-6-12(13)9-11-8-5-4-7-10(11)2/h3-5,7-8,12-13H,1,6,9H2,2H3
InChIKey NFLSHBUWCFHFOW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1021/jo302572s
Molecular Weight 176.259 g/mol
Quality 70
Reported Formula C12H16O
SMILES OC(CC=1C=CC=CC1C)CC=C
SPLASH splash10-0a4i-0900000000-3fcaa28b22e0fceca7c1
Source of Spectrum JOC-78-1280-2d (DOI: 10.1021/jo302572s)
Thin-Layer Chromatography 0.50 (EtOAc/hexanes, 1:4)
Wiley ID 1912186