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YAOOLGAEOOAEEW-PYRNYKRUSA-M
SpectraBase Compound ID 37uAiuoSrql
InChI InChI=1S/C27H36N.ClHO4/c1-22(17-18-26-24(3)14-11-20-27(26,4)5)12-10-13-23(2)19-21-28(6)25-15-8-7-9-16-25;2-1(3,4)5/h7-10,12-13,15-19,21H,11,14,20H2,1-6H3;(H,2,3,4,5)/q+1;/p-1/b13-10+,18-17+,22-12+,23-19-,28-21-;
InChIKey YAOOLGAEOOAEEW-PYRNYKRUSA-M
Mol Weight 474.04 g/mol
Molecular Formula C27H36ClNO4
Exact Mass 473.233286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FcWAMz9HKzQ
Name YAOOLGAEOOAEEW-PYRNYKRUSA-M
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H36ClNO4
InChI InChI=1S/C27H36N.ClHO4/c1-22(17-18-26-24(3)14-11-20-27(26,4)5)12-10-13-23(2)19-21-28(6)25-15-8-7-9-16-25;2-1(3,4)5/h7-10,12-13,15-19,21H,11,14,20H2,1-6H3;(H,2,3,4,5)/q+1;/p-1/b13-10+,18-17+,22-12+,23-19-,28-21-;
InChIKey YAOOLGAEOOAEEW-PYRNYKRUSA-M
Literature Reference Author G.R.ELIA,R.F.CHILDS,J.F.BRITTEN,D.S.C.YANG,B.D.SANTARSIERO
Literature Reference Citation CAN.J.CHEM.,74,591(1996)
Literature Reference DOI 10.1139/v96-063
Molecular Weight 474.040 g/mol
Solvent CD2Cl2
Source File Reference UWRK3228