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3-Butyl-1-octyne

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3-Butyl-1-octyne
SpectraBase Compound ID Es7thlakqHp
InChI InChI=1S/C12H22/c1-4-7-9-11-12(6-3)10-8-5-2/h3,12H,4-5,7-11H2,1-2H3
InChIKey AYCYYIWGLAHFMQ-UHFFFAOYSA-N
Mol Weight 166.31 g/mol
Molecular Formula C12H22
Exact Mass 166.172151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AjVvCtSVN6u
Name 3-Butyl-1-octyne
CAS Registry Number 41831-56-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H22
InChI InChI=1S/C12H22/c1-4-7-9-11-12(6-3)10-8-5-2/h3,12H,4-5,7-11H2,1-2H3
InChIKey AYCYYIWGLAHFMQ-UHFFFAOYSA-N
Instrument Name Varian CFT-20
Literature Reference S. Bhanu, E.A. Khan, F. Scheinmann, J. Chem. Soc. Perkin I 1609 (1976).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3