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AP-3-HEMIACETAL
SpectraBase Compound ID 4KGayAJfqzk
InChI InChI=1S/C32H45ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28-29,37,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,29?,31+,32+/m1/s1
InChIKey JGLAQZQEXXCEGG-CRQUMGRWSA-N
Mol Weight 637.2 g/mol
Molecular Formula C32H45ClN2O9
Exact Mass 636.281359 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EpHu4EIdL6x
Name AP-3-HEMIACETAL
Compound Number 4
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H45ClN2O9
InChI InChI=1S/C32H45ClN2O9/c1-17(2)29(37)43-25-15-26(36)35(6)21-13-20(14-22(40-7)27(21)33)12-18(3)10-9-11-24(41-8)32(39)16-23(42-30(38)34-32)19(4)28-31(25,5)44-28/h9-11,13-14,17,19,23-25,28-29,37,39H,12,15-16H2,1-8H3,(H,34,38)/b11-9+,18-10+/t19-,23+,24-,25+,28+,29?,31+,32+/m1/s1
InChIKey JGLAQZQEXXCEGG-CRQUMGRWSA-N
Literature Reference Author N.L.SEGRAVES,D.YAZZIE,A.J.DEESE
Literature Reference Citation MAGN.RES.CHEM.,50,256(2012)
Literature Reference DOI 10.1002/mrc.2876
Molecular Weight 637.170 g/mol
Solvent CDCl3
Source File Reference UWBT16150