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2-[[2-[(2-Iodobicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-2-yl]methyl]-3-[[3-(3-pentylbicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl] bicyclo[4.2.0]octa-1,3,5-trien-3-yl]methyl]bicyclo[4.2.0]octa-1,3,5-triene

View entire compound with spectra: 1 MS (GC)

2-[[2-[(2-Iodobicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-2-yl]methyl]-3-[[3-(3-pentylbicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl] bicyclo[4.2.0]octa-1,3,5-trien-3-yl]methyl]bicyclo[4.2.0]octa-1,3,5-triene
SpectraBase Compound ID BaATLgxGO5h
InChI InChI=1S/C49H49I/c1-2-3-4-5-30-6-7-31-16-21-40(31)45(30)26-36-12-8-32-17-22-41(32)46(36)27-37-13-9-33-18-23-42(33)47(37)28-38-14-10-34-19-24-43(34)48(38)29-39-15-11-35-20-25-44(35)49(39)50/h6-15H,2-5,16-29H2,1H3
InChIKey TXRBXMIBDJYDAE-UHFFFAOYSA-N
Mol Weight 764.8 g/mol
Molecular Formula C49H49I
Exact Mass 764.287897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Pc6iqhPeBA
Name 2-[[2-[(2-Iodobicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-2-yl]methyl]-3-[[3-(3-pentylbicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl] bicyclo[4.2.0]octa-1,3,5-trien-3-yl]methyl]bicyclo[4.2.0]octa-1,3,5-triene
CAS Registry Number 77130-64-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C49H49I
InChI InChI=1S/C49H49I/c1-2-3-4-5-30-6-7-31-16-21-40(31)45(30)26-36-12-8-32-17-22-41(32)46(36)27-37-13-9-33-18-23-42(33)47(37)28-38-14-10-34-19-24-43(34)48(38)29-39-15-11-35-20-25-44(35)49(39)50/h6-15H,2-5,16-29H2,1H3
InChIKey TXRBXMIBDJYDAE-UHFFFAOYSA-N
Molecular Weight 764.835 g/mol
SMILES c1(c2CCc2ccc1Cc1c2CCc2ccc1Cc1c2CCc2ccc1CCCCC)Cc1c(c2CCc2cc1)Cc1c(c2CCc2cc1)I
SPLASH splash10-00lu-0090000000-dfc8abde943bad91876d
Source of Spectrum F-36-2439-0
Synonyms 2-({2-[(2-iodobicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-3-yl}methyl)-3-({3-[(3-pentylbicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-trien-2-yl}methyl)bicyclo[4.2.0]octa-1,3,5-triene
Wiley ID 1416613