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5-CHLORO-3,3-ETHYLENEDIOXY-4-PENTYNOIC_ACID
SpectraBase Compound ID Ek96gWQhGHs
InChI InChI=1S/C7H7ClO4/c8-2-1-7(5-6(9)10)11-3-4-12-7/h3-5H2,(H,9,10)
InChIKey MRWKEUUYAPPOSK-UHFFFAOYSA-N
Mol Weight 190.58 g/mol
Molecular Formula C7H7ClO4
Exact Mass 190.003286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KDgScP7wmzY
Name 5-CHLORO-3,3-ETHYLENEDIOXY-4-PENTYNOIC_ACID
Compound Number XIV
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C7H7ClO4
InChI InChI=1S/C7H7ClO4/c8-2-1-7(5-6(9)10)11-3-4-12-7/h3-5H2,(H,9,10)
InChIKey MRWKEUUYAPPOSK-UHFFFAOYSA-N
Literature Reference Author R.R.AKHMETVALEEV,G.A.SHAVALEEVA,N.A.IVANOVA,M.S.MIFTAKHOV
Literature Reference Citation RUSS.J.ORG.CHEM.,39,1493(2003)
Literature Reference DOI 10.1023/B:RUJO.0000010568.07788.3d
Molecular Weight 190.583 g/mol
Solvent CDCl3
Source File Reference UWMZ23263