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Ethyl 5-methyl-3-oxo-4-hexene-2-yne-1-carboxylate
SpectraBase Compound ID 7nflEFk86xf
InChI InChI=1S/C10H12O3/c1-4-13-10(12)6-5-9(11)7-8(2)3/h7H,4H2,1-3H3
InChIKey WTEHHIMATQPRAF-UHFFFAOYSA-N
Mol Weight 180.2 g/mol
Molecular Formula C10H12O3
Exact Mass 180.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1skFkld8U6
Name Ethyl 5-methyl-3-oxo-4-hexene-2-yne-1-carboxylate
CAS Registry Number 83253-45-6
Comments XL-100 OR PS-100, SHIFTVALUE FROM C10 AT 21.60 IS CHANGED TO 14.10 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C10H12O3
InChI InChI=1S/C10H12O3/c1-4-13-10(12)6-5-9(11)7-8(2)3/h7H,4H2,1-3H3
InChIKey WTEHHIMATQPRAF-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference L.V. Yerino, M.E. Osborn, P.S. Mariano, Tetrahedron 38, 1579 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3