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3-Ethyl-1,2-heptanediol
SpectraBase Compound ID JhlaCEFG7nr
InChI InChI=1S/C9H20O2/c1-3-5-6-8(4-2)9(11)7-10/h8-11H,3-7H2,1-2H3
InChIKey IOGGKEHFIKSSGB-UHFFFAOYSA-N
Mol Weight 160.26 g/mol
Molecular Formula C9H20O2
Exact Mass 160.14633 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ejoDHtMkaF
Name 3-Ethyl-1,2-heptanediol
CAS Registry Number 94616-96-3
Comments WHE-7567-02 MAJOR DIASTEREOMER (53 %)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H20O2
InChI InChI=1S/C9H20O2/c1-3-5-6-8(4-2)9(11)7-10/h8-11H,3-7H2,1-2H3
InChIKey IOGGKEHFIKSSGB-UHFFFAOYSA-N
Instrument Name Bruker WM-360
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3