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Heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-4,6,8(40),9,11(39),14,16,20,22,24(36),25,27(35),30,32,33,37-hexadecaene
SpectraBase Compound ID 5VLOTLUJimk
InChI InChI=1S/C40H36/c1-2-30-4-3-29(1)9-13-33-17-21-38-27-35(19-23-37(38)25-33)15-11-31-5-7-32(8-6-31)12-16-36-20-24-39-26-34(14-10-30)18-22-40(39)28-36/h1-8,17-28H,9-16H2
InChIKey VRAMUCFWXQKXKO-UHFFFAOYSA-N
Mol Weight 516.7 g/mol
Molecular Formula C40H36
Exact Mass 516.281701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KnBap5tDFGd
Name Heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-4,6,8(40),9,11(39),14,16,20,22,24(36),25,27(35),30,32,33,37-hexadecaene
CAS Registry Number 72862-27-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H36
InChI InChI=1S/C40H36/c1-2-30-4-3-29(1)9-13-33-17-21-38-27-35(19-23-37(38)25-33)15-11-31-5-7-32(8-6-31)12-16-36-20-24-39-26-34(14-10-30)18-22-40(39)28-36/h1-8,17-28H,9-16H2
InChIKey VRAMUCFWXQKXKO-UHFFFAOYSA-N
Molecular Weight 516.728 g/mol
SMILES c12c3cc(cc2)CCc2ccc(cc2)CCc2cc4ccc(cc4cc2)CCc2ccc(CCc(c1)cc3)cc2
SPLASH splash10-0ldi-0830090000-175e440f87c05fda1ea5
Source of Spectrum SB-33-447-0
Synonyms Heptacyclo[28.2.2.2(14,17).1(4,8).1(7,11).1(20,24).1(23,27)]tetraconta-1(32),4(40),5,7,7(39),8,10,14,16,20(38),21,23,23(37),24,26,30,33,35-octadecaene [2](2,6)naphthaleno[2]paracyclo[2](2,6)naphthaleno[2]paracyclophane
Wiley ID 1401518