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Dimethyl anti-14,anti-19-dibromoundecacyclo[9.9.0.0(1,5).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-syn-4,syn-9-dicarboxylate

View entire compound with spectra: 2 MS (GC)

Dimethyl anti-14,anti-19-dibromoundecacyclo[9.9.0.0(1,5).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-syn-4,syn-9-dicarboxylate
SpectraBase Compound ID 741Tzz3yQC
InChI InChI=1S/C24H22Br2O4/c1-29-19(27)7-9-3-4-10(7)22-14-6-5-13(17(14)25)21(9,22)23-11(3)8(20(28)30-2)12(4)24(22,23)16(6)18(26)15(5)23/h3-18H,1-2H3
InChIKey VADURVSWCOWPPO-UHFFFAOYSA-N
Mol Weight 534.24 g/mol
Molecular Formula C24H22Br2O4
Exact Mass 531.988485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAfjC4hUJnQ
Name dimethyl anti-14,anti-19-dibromoundecacyclo[9.9.0.0(1,5).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-syn-4,syn-9-dicarboxylate
Alternate Name(s) dimethyl 14,19-dibromoundecacyclo[9.9.0.0(1,5).0(2,12).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-4,9-dicarboxylate Dimethyl 14-anti,19-anti-Dibromoundecacyclo[9.9.0.0(1,5).0(2,12).0(2,18).0(3,7).0(6,10).0(8,12).0(11,15).0(13,17).0(16,20)]icosane-4-syn,9-syn-dicarboxylate
CAS Registry Number 124316-49-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22Br2O4
InChI InChI=1S/C24H22Br2O4/c1-29-19(27)7-9-3-4-10(7)22-14-6-5-13(17(14)25)21(9,22)23-11(3)8(20(28)30-2)12(4)24(22,23)16(6)18(26)15(5)23/h3-18H,1-2H3
InChIKey VADURVSWCOWPPO-UHFFFAOYSA-N
Molecular Weight 534.244 g/mol
SMILES C123C45C6C(C(=O)OC)C7C55C1(C1C(C2C6C71)C(=O)OC)C1C(C3C2C1C5C(C42)Br)Br
SPLASH splash10-001r-0000090000-e1935a35473f2aae056a
Source of Spectrum K-124-1285-34
Wiley ID 1403550