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2-PENTYL-1,2,3,6-TETRAHYDROAZULENE-6-CARBOXYLIC-ACID

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2-PENTYL-1,2,3,6-TETRAHYDROAZULENE-6-CARBOXYLIC-ACID
SpectraBase Compound ID FWmwIUrbGJK
InChI InChI=1S/C16H22O2/c1-2-3-4-5-12-10-14-8-6-13(16(17)18)7-9-15(14)11-12/h6-9,12-13H,2-5,10-11H2,1H3,(H,17,18)/t12-,13+
InChIKey GWHFENGFGLEGNL-BETUJISGSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 42wUmxVuyW7
Name 2-PENTYL-1,2,3,6-TETRAHYDROAZULENE-6-CARBOXYLIC-ACID
Compound Number 26
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-2-3-4-5-12-10-14-8-6-13(16(17)18)7-9-15(14)11-12/h6-9,12-13H,2-5,10-11H2,1H3,(H,17,18)/t12-,13+
InChIKey GWHFENGFGLEGNL-BETUJISGSA-N
Literature Reference Author Z.HUSSAIN,H.HOPF,L.POHL,T.OESER,A.K.FISCHER,P.G.JONES
Literature Reference Citation EUR.J.ORG.CHEM.,5555(2006)
Molecular Weight 246.349 g/mol
Sample ID 44507
Solvent CDCl3