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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 Jzq7wHRtNEM
Name 1-PHENYL-3-METHYL-1,4-BUTANDIOL (DIASTEREOMER 2)
Comments 1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Jeol FX-90
Literature Reference U.M.DZHEMILEV, R.M.SULTANOV, R.G.GAIMALDINOV, R.R.MUSLUKHOV, S.I.LOMAKINA,G.A.TOLSTIKOV (1992) Izv.Akad.Nauk SSSR(Russ. Lang.): N4, 980-999.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d