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Nonacyclo[35.3.1.1(4,8).1(7,11).1(14,18).1(17,21).1(24,28).1(27,31).1(34,38)]octate traconta-1(41),4,6,8(48),9,11(47),14,16,18(46),19,21(45),24,26,28(44),29,31(43),34,36,38(42),39-eicosaene
SpectraBase Compound ID 5ALbkER3DUU
InChI InChI=1S/C48H40/c1-2-34-10-18-44-28-36(12-20-43(44)26-34)5-6-38-14-22-48-32-40(16-24-47(48)30-38)8-7-39-15-23-45-29-37(13-21-46(45)31-39)4-3-35-11-19-41-25-33(1)9-17-42(41)27-35/h9-32H,1-8H2
InChIKey LXSHILPWZNHJOS-UHFFFAOYSA-N
Mol Weight 616.8 g/mol
Molecular Formula C48H40
Exact Mass 616.313001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GX7h1Rl1SMI
Name Nonacyclo[35.3.1.1(4,8).1(7,11).1(14,18).1(17,21).1(24,28).1(27,31).1(34,38)]octate traconta-1(41),4,6,8(48),9,11(47),14,16,18(46),19,21(45),24,26,28(44),29,31(43),34,36,38(42),39-eicosaene
CAS Registry Number 72862-29-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C48H40
InChI InChI=1S/C48H40/c1-2-34-10-18-44-28-36(12-20-43(44)26-34)5-6-38-14-22-48-32-40(16-24-47(48)30-38)8-7-39-15-23-45-29-37(13-21-46(45)31-39)4-3-35-11-19-41-25-33(1)9-17-42(41)27-35/h9-32H,1-8H2
InChIKey LXSHILPWZNHJOS-UHFFFAOYSA-N
Molecular Weight 616.848 g/mol
SMILES c12c3cc(cc2)CCc2cc4ccc(cc4cc2)CCc2cc4ccc(cc4cc2)CCc2cc4ccc(cc4cc2)CCc(c1)cc3
SPLASH splash10-0ldi-0903008000-cfec993b32f09298260f
Source of Spectrum SB-33-447-0
Synonyms nonacyclo[35.3.1.1(4,8).1(7,11).1(14,18).1(17,21).1(24,28).1(27,31).1(34,38)]octatetraconta-1(41),4(48),5,7,9,11(47),14(46),15,17,19,21(45),24,25,27,29,31(43),34(42),35,37,39-icosaene [2(4)](2,6)naphthalenophane
Wiley ID 1411357