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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJKTbJKZs2C
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)-
CAS Registry Number 120296-83-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 c12C(OCCCCCCCOC(c3c(OCC#C)ccc(c3)OCC#CC#CCOc(c1)ccc2OCC#C)=O)=O
SPLASH splash10-002s-0970040000-d820f8f4fc7c73ef5e68
Source of Spectrum C-111-3649-10
Synonyms 13,27-bis(2-propynyloxy)-2,9,16,24-tetraoxatricyclo[24.3.1.1(10,14)]hentriaconta-1(30),10(31),11,13,26,28-hexaene-4,6-diyne-15,25-dione 2,10,18,25-Tetraoxa-1,11-dioxo-13,29-bis(2-propynyloxy)[11.8]metacyclopha-20,22-diyne
Wiley ID 1406219