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3-METHYL-1-PHENYLBUTANE-1,4-DIOL;DIASTEREOMER_A;MAJOR_DIASTEREOMER
SpectraBase Compound ID 7I2Va5DQsMt
InChI InChI=1S/C11H16O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKey STCQQLBAPJKVAW-UHFFFAOYSA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78CeU1B2vN5
Name 3-METHYL-1-PHENYLBUTANE-1,4-DIOL;DIASTEREOMER_B;MINOR_DIASTEREOMER
Compound Number 3_R=PH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-9(8-12)7-11(13)10-5-3-2-4-6-10/h2-6,9,11-13H,7-8H2,1H3
InChIKey STCQQLBAPJKVAW-UHFFFAOYSA-N
Literature Reference Author W.R.JACKSON,M.R.MOFFAT,P.PERLMUTTER,E.E.TASDELEN
Literature Reference Citation AUSTR.J.CHEM.,45,823(1992)
Literature Reference DOI 10.1071/ch9920823
Molecular Weight 180.247 g/mol
Solvent Unknown
Source File Reference UWMZ3721