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3,7,14,21-Tetraoxatricyclo[20.3.1.19,13]heptacosa-1(26),9,11,13(27),22,24-hexaene-16,18-diyne-2,8-dione, 10,25-bis(2-propynyloxy)-
SpectraBase Compound ID 2odgHDpLU3S
InChI InChI=1S/C29H22O8/c1-3-14-34-26-12-10-22-20-24(26)28(30)36-18-9-19-37-29(31)25-21-23(11-13-27(25)35-15-4-2)33-17-8-6-5-7-16-32-22/h1-2,10-13,20-21H,9,14-19H2
InChIKey IFVRTKJMWQHQBJ-UHFFFAOYSA-N
Mol Weight 498.49 g/mol
Molecular Formula C29H22O8
Exact Mass 498.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPwoYUUb9H1
Name 3,7,14,21-Tetraoxatricyclo[20.3.1.19,13]heptacosa-1(26),9,11,13(27),22,24-hexaene-16,18-diyne-2,8-dione, 10,25-bis(2-propynyloxy)-
CAS Registry Number 84198-44-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H22O8
InChI InChI=1S/C29H22O8/c1-3-14-34-26-12-10-22-20-24(26)28(30)36-18-9-19-37-29(31)25-21-23(11-13-27(25)35-15-4-2)33-17-8-6-5-7-16-32-22/h1-2,10-13,20-21H,9,14-19H2
InChIKey IFVRTKJMWQHQBJ-UHFFFAOYSA-N
Molecular Weight 498.487 g/mol
SMILES c12C(OCCCOC(c3c(ccc(c3)OCC#CC#CCOc(c1)ccc2OCC#C)OCC#C)=O)=O
SPLASH splash10-0002-9710100000-82e4bc0858fc468f0282
Source of Spectrum C-111-3648-10
Synonyms 1,8,16,20-Tetraoxa-15,21-dioxo12,23,bis(2-propynyloxy)[8.7]metacyclopha-3,5-diyne 10,25-bis(2-propynyloxy)-3,7,14,21-tetraoxatricyclo[20.3.1.1(9,13)]heptacosa-1(26),9(27),10,12,22,24-hexaene-16,18-diyne-2,8-dione
Wiley ID 1398591