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2'-nor-oxyacanthyne

View entire compound with spectra: 1 MS (GC)

2'-nor-oxyacanthyne
SpectraBase Compound ID AyZ0pEsK2zD
InChI InChI=1S/C36H38N2O6/c1-38-14-12-23-18-31(40-2)32-20-26(23)28(38)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-27-34-24(11-13-37-27)19-33(41-3)35(42-4)36(34)44-32/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1
InChIKey FLCMAUUZBGVBJQ-IZLXSDGUSA-N
Mol Weight 594.7 g/mol
Molecular Formula C36H38N2O6
Exact Mass 594.272987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BZnaKiCFAj
Name 2'-nor-oxyacanthyne
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H38N2O6
InChI InChI=1S/C36H38N2O6/c1-38-14-12-23-18-31(40-2)32-20-26(23)28(38)16-22-7-10-29(39)30(17-22)43-25-8-5-21(6-9-25)15-27-34-24(11-13-37-27)19-33(41-3)35(42-4)36(34)44-32/h5-10,17-20,27-28,37,39H,11-16H2,1-4H3/t27-,28+/m1/s1
InChIKey FLCMAUUZBGVBJQ-IZLXSDGUSA-N
Molecular Weight 594.708 g/mol
SMILES N1CCc2cc(c(c3c2[C@]1(Cc1ccc(Oc2cc(ccc2O)C[C@]2(c4cc(O3)c(cc4CCN2C)OC)[H])cc1)[H])OC)OC
SPLASH splash10-000x-0809080000-ec55aab6a647b03e78b7
Source of Spectrum X2-50-724-1
Wiley ID 1602373