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2,9,17,24-TETRAOXA-1,10-DIOXO-12,28-BIS-(2-PROPENYLOXY)-[10.8]-METACYCLOPHA-19,21-DIYNE
SpectraBase Compound ID ASstpl5JWs9
InChI InChI=1S/C32H28O8/c1-3-17-37-29-15-13-25-23-27(29)31(33)39-21-11-7-8-12-22-40-32(34)28-24-26(14-16-30(28)38-18-4-2)36-20-10-6-5-9-19-35-25/h1-2,13-16,23-24H,7-8,11-12,17-22H2
InChIKey GMNVDPOXUARQEL-UHFFFAOYSA-N
Mol Weight 540.6 g/mol
Molecular Formula C32H28O8
Exact Mass 540.178418 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4FQ1Fj9Mt2u
Name 2,9,16,23-Tetraoxatricyclo[23.3.1.110,14]triaconta-1(29),10,12,14(30),25,27-hexaene-4,6-diyne-15,24-dione, 13,26-bis(2-propynyloxy)-
Alternate Name(s) 13,26-bis(2-propynyloxy)-2,9,16,23-tetraoxatricyclo[23.3.1.1(10,14)]triaconta-1(29),10(30),11,13,25,27-hexaene-4,6-diyne-15,24-dione 2,9,17,24-Tetraoxa-1,10-dioxo-12,28-bis(2-propynyloxy)[10,8]metacyclopha-19,21-diyne
CAS Registry Number 120296-82-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H28O8
InChI InChI=1S/C32H28O8/c1-3-17-37-29-15-13-25-23-27(29)31(33)39-21-11-7-8-12-22-40-32(34)28-24-26(14-16-30(28)38-18-4-2)36-20-10-6-5-9-19-35-25/h1-2,13-16,23-24H,7-8,11-12,17-22H2
InChIKey GMNVDPOXUARQEL-UHFFFAOYSA-N
Molecular Weight 540.568 g/mol
SMILES c12C(OCCCCCCOC(c3c(OCC#C)ccc(c3)OCC#CC#CCOc(c1)ccc2OCC#C)=O)=O
SPLASH splash10-0a5i-9730010000-4b39ab199ffca36dd948
Source of Spectrum C-111-3649-10
Wiley ID 1404657