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1-Heptyne
SpectraBase Compound ID H31quK3rMAI
InChI InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
InChIKey YVXHZKKCZYLQOP-UHFFFAOYSA-N
Mol Weight 96.17 g/mol
Molecular Formula C7H12
Exact Mass 96.0939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Fyy0cxHsoWG
Name 1-Heptyne
CAS Registry Number 628-71-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C7H12
InChI InChI=1S/C7H12/c1-3-5-7-6-4-2/h1H,4-7H2,2H3
InChIKey YVXHZKKCZYLQOP-UHFFFAOYSA-N
Instrument Name Special
Literature Reference D.E. Dorman, M. Jautelat, J.D. Roberts, J. Org. Chem. 38, 1027 (1973).
NMR Standard CS2
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent Neat liquid