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1-(1,3-Benzodioxol-5-yl)-2-hexyn-1-one

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1-(1,3-Benzodioxol-5-yl)-2-hexyn-1-one
SpectraBase Compound ID 6FboRXNcBaN
InChI InChI=1S/C13H12O3/c1-2-3-4-5-11(14)10-6-7-12-13(8-10)16-9-15-12/h6-8H,2-3,9H2,1H3
InChIKey UATWKCFGGJJHBS-UHFFFAOYSA-N
Mol Weight 216.24 g/mol
Molecular Formula C13H12O3
Exact Mass 216.078644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E0sBeVIpwMT
Name 1-(1,3-Benzodioxol-5-yl)-2-hexyn-1-one
CAS Registry Number 108462-80-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H12O3
InChI InChI=1S/C13H12O3/c1-2-3-4-5-11(14)10-6-7-12-13(8-10)16-9-15-12/h6-8H,2-3,9H2,1H3
InChIKey UATWKCFGGJJHBS-UHFFFAOYSA-N
Instrument Name Bruker WH-270
Literature Reference A.M. Echavarren, J.K. Stille, J. Am. Chem. Soc. 110, 1557 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3