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(OXACYCLOHEPT-2-YL)-5-PENTANOLIDE;(ISOMER-1)

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(OXACYCLOHEPT-2-YL)-5-PENTANOLIDE;(ISOMER-1)
SpectraBase Compound ID 42qnCQpIaFf
InChI InChI=1S/C11H18O3/c12-11-6-5-10(14-11)8-9-4-2-1-3-7-13-9/h9-10H,1-8H2
InChIKey QHFZGAGHMAFYRY-UHFFFAOYSA-N
Mol Weight 198.26 g/mol
Molecular Formula C11H18O3
Exact Mass 198.125594 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IVyaxWbX10o
Name (OXACYCLOHEPT-2-YL)-5-PENTANOLIDE;(ISOMER-2)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H18O3
InChI InChI=1S/C11H18O3/c12-11-6-5-10(14-11)8-9-4-2-1-3-7-13-9/h9-10H,1-8H2
InChIKey QHFZGAGHMAFYRY-UHFFFAOYSA-N
Literature Reference Author A.KHARRAT,C.GARDRAT,B.MAILLARD
Literature Reference Citation CAN.J.CHEM.,62,2385(1984)
Literature Reference DOI 10.1139/v84-409
Molecular Weight 198.262 g/mol
Solvent CDCl3
Source File Reference UWED3416