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1-Oxa-2-oxo-3-(3-hydroxy-2-octenyl)-4-hydroxy-methyl-cyclopentane
SpectraBase Compound ID 69ChFzthzYp
InChI InChI=1S/C13H22O4/c1-2-3-4-5-11(15)7-6-10-8-13(16)17-12(10)9-14/h6-7,10-12,14-15H,2-5,8-9H2,1H3/b7-6+
InChIKey UHTFAFIMQMDMLE-VOTSOKGWSA-N
Mol Weight 242.31 g/mol
Molecular Formula C13H22O4
Exact Mass 242.151809 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Cvbxw444Ji
Name 1-Oxa-2-oxo-3-(3-hydroxy-2-octenyl)-4-hydroxy-methyl-cyclopentane
CAS Registry Number 69008-98-6
Comments SHIFTVALUES FROM C11 (14.47 PPM) ELEMINATED UND FROM C12 IS CHANGED FROM 14.70 TO 14.10 PPM (A.H.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C13H22O4
InChI InChI=1S/C13H22O4/c1-2-3-4-5-11(15)7-6-10-8-13(16)17-12(10)9-14/h6-7,10-12,14-15H,2-5,8-9H2,1H3/b7-6+
InChIKey UHTFAFIMQMDMLE-VOTSOKGWSA-N
Literature Reference G. Stork, T. Takahashi, I. Kawamoto, J. Am. Chem. Soc. 100, 8272 (1978).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported