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1-HYDROXYMETHYL-DELTA4-OCTALIN-2-CARBOXYLIC ACID
SpectraBase Compound ID GtbPmZuqh9V
InChI InChI=1S/C12H18O3/c13-7-11-9-4-2-1-3-8(9)5-6-10(11)12(14)15/h5,9-11,13H,1-4,6-7H2,(H,14,15)/t9-,10+,11-/m1/s1
InChIKey CMCBCITYYJQMHV-OUAUKWLOSA-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 80c0DiwvYzo
Name 1-HYDROXYMETHYL-DELTA4-OCTALIN-2-CARBOXYLIC ACID
Comments 42
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H18O3
InChI InChI=1S/C12H18O3/c13-7-11-9-4-2-1-3-8(9)5-6-10(11)12(14)15/h5,9-11,13H,1-4,6-7H2,(H,14,15)/t9-,10+,11-/m1/s1
InChIKey CMCBCITYYJQMHV-OUAUKWLOSA-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