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Bicyclo[4.2.0]octa-1,3,5-triene, 2-[(2-iodobicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl]-3-[(3-pentylbic yclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]-

View entire compound with spectra: 1 MS (GC)

Bicyclo[4.2.0]octa-1,3,5-triene, 2-[(2-iodobicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl]-3-[(3-pentylbic yclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]-
SpectraBase Compound ID 27ybCfqbSVe
InChI InChI=1S/C31H33I/c1-2-3-4-5-20-6-7-21-12-15-26(21)29(20)18-24-10-8-22-13-16-27(22)30(24)19-25-11-9-23-14-17-28(23)31(25)32/h6-11H,2-5,12-19H2,1H3
InChIKey HWOOMYVJWQWIOL-UHFFFAOYSA-N
Mol Weight 532.5 g/mol
Molecular Formula C31H33I
Exact Mass 532.162696 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHocraHJLFd
Name Bicyclo[4.2.0]octa-1,3,5-triene, 2-[(2-iodobicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl]-3-[(3-pentylbic yclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]-
CAS Registry Number 77130-62-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H33I
InChI InChI=1S/C31H33I/c1-2-3-4-5-20-6-7-21-12-15-26(21)29(20)18-24-10-8-22-13-16-27(22)30(24)19-25-11-9-23-14-17-28(23)31(25)32/h6-11H,2-5,12-19H2,1H3
InChIKey HWOOMYVJWQWIOL-UHFFFAOYSA-N
Molecular Weight 532.509 g/mol
SMILES c1(c2CCc2ccc1Cc1c2CCc2ccc1CCCCC)Cc1c(c2CCc2cc1)I
SPLASH splash10-00lr-0490110000-7b46bf6dcbf0edc2f381
Source of Spectrum F-36-2439-0
Synonyms 2-[(2-iodobicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl]-3-[(3-N-pentylbicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-triene 2-[(2-iodobicyclo[4.2.0]octa-1,3,5-trien-3-yl)methyl]-3-[(3-pentylbicyclo[4.2.0]octa-1,3,5-trien-2-yl)methyl]bicyclo[4.2.0]octa-1,3,5-triene
Wiley ID 1403625