16,21,34,39-Tetraoxadibenzo[18,19:36,37]tetrapentacontan-1,54-diyne-4,51-diol

SpectraBase Compound ID	81gYyeW7dSV
InChI	InChI=1S/C58H94O6/c1-3-37-57(59)43-27-21-15-9-7-13-19-25-35-47-63-51-55-41-31-29-39-53(55)49-61-45-33-23-17-11-5-6-12-18-24-34-46-62-50-54-40-30-32-42-56(54)52-64-48-36-26-20-14-8-10-16-22-28-44-58(60)38-4-2/h1-2,29-32,39-42,57-60H,5-28,33-38,43-52H2
InChIKey	LFTBTFGRFBIYBA-UHFFFAOYSA-N Google Search
Mol Weight	887.4 g/mol
Molecular Formula	C58H94O6
Exact Mass	886.705041 g/mol

Subscribe to view the full spectrum.

SpectraBase Spectrum ID	93cMRCywsOH
Name	16,21,34,39-Tetraoxadibenzo[18,19:36,37]tetrapentacontan-1,54-diyne-4,51-diol
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	886.705040741 u
Formula	C58H94O6
InChI	InChI=1S/C58H94O6/c1-3-37-57(59)43-27-21-15-9-7-13-19-25-35-47-63-51-55-41-31-29-39-53(55)49-61-45-33-23-17-11-5-6-12-18-24-34-46-62-50-54-40-30-32-42-56(54)52-64-48-36-26-20-14-8-10-16-22-28-44-58(60)38-4-2/h1-2,29-32,39-42,57-60H,5-28,33-38,43-52H2
InChIKey	LFTBTFGRFBIYBA-UHFFFAOYSA-N
Molecular Weight	887.384 g/mol
SMILES	C(#C)CC(O)CCCCCCCCCCCOCC=1C(COCCCCCCCCCCCCOCC=2C(COCCCCCCCCCCCC(CC#C)O)=CC=CC2)=CC=CC1