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ANTHOPLEURINE (ALARM PHEROMONE OF ANTHOPLEURA ELEGANTISSIMA)
SpectraBase Compound ID K8XDXRyuuSD
InChI InChI=1S/C7H15NO4.ClH/c1-8(2,3)4-5(9)6(10)7(11)12;/h5-6,9-10H,4H2,1-3H3;1H/t5-,6+;/m1./s1
InChIKey TYZKKROUWUBSNQ-IBTYICNHSA-N
Mol Weight 213.66 g/mol
Molecular Formula C7H16ClNO4
Exact Mass 213.076786 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H5wWJDySWi3
Name ANTHOPLEURINE (ALARM PHEROMONE OF ANTHOPLEURA ELEGANTISSIMA)
Comments 3
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Formula C7H16ClNO4
InChI InChI=1S/C7H15NO4.ClH/c1-8(2,3)4-5(9)6(10)7(11)12;/h5-6,9-10H,4H2,1-3H3;1H/t5-,6+;/m1./s1
InChIKey TYZKKROUWUBSNQ-IBTYICNHSA-N
Instrument Name Bruker AM-300
Literature Reference A.G.TOLSTIKOV, R.KH.YAMILOV, L.V.SPIRIKHIN, L.M.KHALILOV, G.A.TOLSTIKOV (1991)Bioorganich.Khim.(Russ. Lang.): v.17, N7, 988-993.
NMR Standard CD3CN
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent D2O