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TRANS-ANACROTINE
SpectraBase Compound ID 1JgJ9eE52Mv
InChI InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4+/t10-,13-,14-,15-,18-/m1/s1
InChIKey NPYPUYCITBTPSF-PUEFMWKWSA-N
Mol Weight 351.4 g/mol
Molecular Formula C18H25NO6
Exact Mass 351.168188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GN14saE47L7
Name ANACROTINE
CAS Registry Number 140147-65-5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H25NO6
InChI InChI=1S/C18H25NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-5-6-19-8-13(20)15(14(12)19)25-16(11)21/h4-5,10,13-15,20,23H,6-9H2,1-3H3/b11-4+/t10-,13-,14-,15-,18-/m1/s1
InChIKey NPYPUYCITBTPSF-PUEFMWKWSA-N
Literature Reference Author A.J.JONES,C.C.J.COLVENOR,L.W.SMITH
Literature Reference Citation AUSTR.J.CHEM.,35,1173(1982)
Literature Reference DOI 10.1071/ch9821173
Molecular Weight 351.400 g/mol
Solvent CDCl3
Source File Reference UNIW22235