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7,16-Diacetoxy-2,3,11,12-tetrabromo-(6a,8a,15a,17a)-6,8,15,17-tetrahydro-6,17:8,15-dimethanoheptacene
SpectraBase Compound ID CMKy0wvOjnO
InChI InChI=1S/C36H22Br4O4/c1-13(41)43-35-31-23-11-25(21-5-17-9-29(39)27(37)7-15(17)3-19(21)23)33(31)36(44-14(2)42)34-26-12-24(32(34)35)20-4-16-8-28(38)30(40)10-18(16)6-22(20)26/h3-10,23-26H,11-12H2,1-2H3
InChIKey QYSRHDNOLKKMHJ-UHFFFAOYSA-N
Mol Weight 838.2 g/mol
Molecular Formula C36H22Br4O4
Exact Mass 833.825161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8rOpbWM1Hna
Name 7,16-Diacetoxy-2,3,11,12-tetrabromo-(6a,8a,15a,17a)-6,8,15,17-tetrahydro-6,17:8,15-dimethanoheptacene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H22Br4O4
InChI InChI=1S/C36H22Br4O4/c1-13(41)43-35-31-23-11-25(21-5-17-9-29(39)27(37)7-15(17)3-19(21)23)33(31)36(44-14(2)42)34-26-12-24(32(34)35)20-4-16-8-28(38)30(40)10-18(16)6-22(20)26/h3-10,23-26H,11-12H2,1-2H3
InChIKey QYSRHDNOLKKMHJ-UHFFFAOYSA-N
Molecular Weight 838.184 g/mol
SMILES c12c(C3CC1c1c3cc3c(c1)cc(c(Br)c3)Br)c(OC(=O)C)c1c(c2OC(=O)C)C2c3c(cc4c(c3)cc(c(Br)c4)Br)C1C2
SPLASH splash10-0udu-6000000960-c334d7140834b3b26cdb
Source of Spectrum QE-11-3372-12
Synonyms 18-(acetyloxy)-10,11,25,26-tetrabromononacyclo[18.10.1.1(5,16).0(2,19).0(4,17).0(6,15).0(8,13).0(21,30).0(23,28)]dotriaconta-2,4(17),6,8,10,12,14,18,21(30),22,24,26,28-tridecaen-3-yl acetate
Wiley ID 1638772