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XMLNCADGRIEXPK-SHKZZMNCSA-M

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XMLNCADGRIEXPK-SHKZZMNCSA-M
SpectraBase Compound ID Df99ttpbS8y
InChI InChI=1S/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16-,17?;/i1D3;/t14-,15+,16-,17?,19+;
InChIKey XMLNCADGRIEXPK-SHKZZMNCSA-M
Mol Weight 387.33 g/mol
Molecular Formula C18H232H3BrNO3
Exact Mass 386.128437 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8pHkgkWp8Ta
Name XMLNCADGRIEXPK-SHKZZMNCSA-M
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H232H3BrNO3
InChI InChI=1S/C18H26NO3.BrH/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;/h3-7,14-17,20H,8-12H2,1-2H3;1H/q+1;/p-1/t14-,15+,16-,17?;/i1D3;/t14-,15+,16-,17?,19+;
InChIKey XMLNCADGRIEXPK-SHKZZMNCSA-M
Literature Reference Author K.H.POOK,W.SCHULZ,R.BANHOLZER
Literature Reference Citation LIEB.ANN.CHEM.,1499(1975)
Molecular Weight 387.332 g/mol
Solvent CD3OD
Source File Reference UWCS12441