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Grasshopper ketone

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Grasshopper ketone
SpectraBase Compound ID 2lh5TeIlIUT
InChI InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6?,10-,13+/m0/s1
InChIKey QMXLZUOHZGYGDY-JBGXHEPSSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EtkjGgzxkFW
Name GRASSHOPPER-KETONE
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9(14)5-6-11-12(2,3)7-10(15)8-13(11,4)16/h5,10,15-16H,7-8H2,1-4H3/t6?,10-,13+/m0/s1
InChIKey QMXLZUOHZGYGDY-JBGXHEPSSA-N
Literature Reference Author T.HASHIMOTO,M.TORI,Y.ASAKAWA
Literature Reference Citation PHYTOCHEM.,30,2927(1991)
Literature Reference DOI 10.1016/S0031-9422(00)98226-8
Molecular Weight 224.300 g/mol
Solvent Unknown
Source File Reference UWVN30945