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2,9,16,24-Tetraoxatricyclo[24.3.1.110,14]hentriaconta-1(30),10,12,14(31),26,28-hexaene-4,6-diyne-15,25-dione, 13,27-bis(2-propynyloxy)-
SpectraBase Compound ID 8fRb2Iqk2Y4
InChI InChI=1S/C33H30O8/c1-3-18-38-30-16-14-26-24-28(30)32(34)40-22-12-6-5-7-13-23-41-33(35)29-25-27(15-17-31(29)39-19-4-2)37-21-11-9-8-10-20-36-26/h1-2,14-17,24-25H,5-7,12-13,18-23H2
InChIKey UKHFATCULXYLLX-UHFFFAOYSA-N
Mol Weight 554.6 g/mol
Molecular Formula C33H30O8
Exact Mass 554.194068 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9J7cvxeN5sJ
Name 2,9,16,24-Tetraoxatricyclo[24.3.1.110,14]hentriaconta-1(30),10,12,14(31),26,28-hexaene-4,6-diyne-15,25-dione, 13,27-bis(2-propynyloxy)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.194067918 u
Formula C33H30O8
InChI InChI=1S/C33H30O8/c1-3-18-38-30-16-14-26-24-28(30)32(34)40-22-12-6-5-7-13-23-41-33(35)29-25-27(15-17-31(29)39-19-4-2)37-21-11-9-8-10-20-36-26/h1-2,14-17,24-25H,5-7,12-13,18-23H2
InChIKey UKHFATCULXYLLX-UHFFFAOYSA-N
Molecular Weight 554.595 g/mol
SMILES C=12C(OCCCCCCCOC(C3=C(OCC#C)C=CC(=C3)OCC#CC#CCOC(C1)=CC=C2OCC#C)=O)=O