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2-HYDROXYMETHYL-DELTA4-OCTALIN-1-CARBOXYLIC ACID
SpectraBase Compound ID 5GJmtN00zGn
InChI InChI=1S/C12H18O3/c13-7-9-6-5-8-3-1-2-4-10(8)11(9)12(14)15/h5,9-11,13H,1-4,6-7H2,(H,14,15)/t9-,10-,11+/m1/s1
InChIKey VQVCGEWXAGTNSY-MXWKQRLJSA-N
Mol Weight 210.27 g/mol
Molecular Formula C12H18O3
Exact Mass 210.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hh9WcveFnNf
Name 2-HYDROXYMETHYL-DELTA4-OCTALIN-1-CARBOXYLIC ACID
Comments 2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c13-7-9-6-5-8-3-1-2-4-10(8)11(9)12(14)15/h5,9-11,13H,1-4,6-7H2,(H,14,15)/t9-,10-,11+/m1/s1
InChIKey VQVCGEWXAGTNSY-MXWKQRLJSA-N
Instrument Name Bruker HX-90
Literature Reference V.A.DENISENKO, V.L.NOVIKOV, G.B.ELYAKOV (1979) Izv.Akad.Nauk SSSR(Russ. Lang.):N4, 777-783.
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CD4O methanol-d4