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3-(4'-METHOXYPHENYL)-PENTAN-3-OL
SpectraBase Compound ID 4zHxYXam4dr
InChI InChI=1S/C12H18O2/c1-4-12(13,5-2)10-6-8-11(14-3)9-7-10/h6-9,13H,4-5H2,1-3H3
InChIKey TVPKOHYIKNWMLR-UHFFFAOYSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7UAy0zzhzPi
Name 3-(4-Methoxyphenyl)pentan-3-ol
Appearance Light yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 194.130679818 u
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-4-12(13,5-2)10-6-8-11(14-3)9-7-10/h6-9,13H,4-5H2,1-3H3
InChIKey TVPKOHYIKNWMLR-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q/FINNIGAN MAT 90
Ionization Type EI
Literature Reference DOI 10.1002/anie.201802123
Molecular Weight 194.274 g/mol
Quality 222
Reported Formula C12H18O2
SMILES OC(C1=CC=C(OC)C=C1)(CC)CC
SPLASH splash10-014i-1900000000-99bbd9d928a5810bbd7a
Source of Spectrum ACI-57-SM8-6b (DOI: 10.1002/anie.201802123)
Wiley ID 1891003