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TRANS-3-PROPYL-4-CARBOXY-1-ISOCHROMANONE
SpectraBase Compound ID ClIBDppm5Hz
InChI InChI=1S/C13H14O4/c1-2-5-10-11(12(14)15)8-6-3-4-7-9(8)13(16)17-10/h3-4,6-7,10-11H,2,5H2,1H3,(H,14,15)/t10-,11+/m0/s1
InChIKey SFIRYESSBGDHOY-WDEREUQCSA-N
Mol Weight 234.25 g/mol
Molecular Formula C13H14O4
Exact Mass 234.089209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Zk5EHT978I
Name TRANS-3-PROPYL-4-CARBOXY-1-ISOCHROMANONE
Comments E MOS02910
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H14O4
InChI InChI=1S/C13H14O4/c1-2-5-10-11(12(14)15)8-6-3-4-7-9(8)13(16)17-10/h3-4,6-7,10-11H,2,5H2,1H3,(H,14,15)/t10-,11+/m0/s1
InChIKey SFIRYESSBGDHOY-WDEREUQCSA-N
Instrument Name Jeol FX-90
Literature Reference A.N.KASATKIN, R.KH.BIKTIMIROV, G.A.TOLSTIKOV, V.R.SULTANMURATOVA (1991)Zhurn.Org.Khim.(Russ. Lang.): v.27, N4, 700-711.
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d