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2,9,16,25-Tetraoxatricyclo[25.3.1.110,14]dotriaconta-1(31),10,12,14(32),27,29-hexaene-4,6-diyne-15,26-dione, 13,28-bis(2-propynyloxy)-
SpectraBase Compound ID KwFKOvM9j5I
InChI InChI=1S/C34H32O8/c1-3-19-39-31-17-15-27-25-29(31)33(35)41-23-13-7-5-6-8-14-24-42-34(36)30-26-28(16-18-32(30)40-20-4-2)38-22-12-10-9-11-21-37-27/h1-2,15-18,25-26H,5-8,13-14,19-24H2
InChIKey HZMBCIFSAMDSCH-UHFFFAOYSA-N
Mol Weight 568.6 g/mol
Molecular Formula C34H32O8
Exact Mass 568.209718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I32Xb3et8zZ
Name 2,9,16,25-Tetraoxatricyclo[25.3.1.110,14]dotriaconta-1(31),10,12,14(32),27,29-hexaene-4,6-diyne-15,26-dione, 13,28-bis(2-propynyloxy)-
CAS Registry Number 120296-84-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H32O8
InChI InChI=1S/C34H32O8/c1-3-19-39-31-17-15-27-25-29(31)33(35)41-23-13-7-5-6-8-14-24-42-34(36)30-26-28(16-18-32(30)40-20-4-2)38-22-12-10-9-11-21-37-27/h1-2,15-18,25-26H,5-8,13-14,19-24H2
InChIKey HZMBCIFSAMDSCH-UHFFFAOYSA-N
Molecular Weight 568.622 g/mol
SMILES c12C(OCCCCCCCCOC(=O)c3cc(OCC#CC#CCOc(c2)ccc1OCC#C)ccc3OCC#C)=O
SPLASH splash10-000i-0900000000-1bc944450d1c9efcbc0f
Source of Spectrum C-111-3649-10
Synonyms 13,28-bis(2-propynyloxy)-2,9,16,25-tetraoxatricyclo[25.3.1.1(10,14)]dotriaconta-1(31),10(32),11,13,27,29-hexaene-4,6-diyne-15,26-dione 2,11,19,26-Tetraoxa-1,12-dioxo-14,30-propynyloxy)[12.8]metacyclopha-21,23-diyne
Wiley ID 1407541