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8-Chlorobicyclo[5.1.0]ocy-1(8)-ene trap with Diphenyliosbenzofuran
SpectraBase Compound ID Eb6i1iknwnu
InChI InChI=1S/C28H25ClO/c29-28-24-18-8-3-11-19-25(24,28)26(20-12-4-1-5-13-20)22-16-9-10-17-23(22)27(28,30-26)21-14-6-2-7-15-21/h1-2,4-7,9-10,12-17,24H,3,8,11,18-19H2/t24-,25+,26+,27-,28-/m0/s1
InChIKey FJTGHGHYTKMRRW-WMJDNDCMSA-N
Mol Weight 412.96 g/mol
Molecular Formula C28H25ClO
Exact Mass 412.159393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7qx3HWPjIRK
Name 8-Chlorobicyclo[5.1.0]ocy-1(8)-ene trap with Diphenyliosbenzofuran
Alternate Name(s) 2-Chloro-1,5-diphenylbenzo[f]8-oxa-3,4-(pentamethylene)tricyclo[3.2.1.0(2,4)]octane 8-Chlorobicyclo[5.1.0]octyl-1(8)-ene trap with Diphenyliosbenzofuran 9-chloro-1,10-diphenyl-17-oxapentacyclo[8.6.1.0(2,8).0(2,9).0(11,16)]heptadeca-11,13,15-triene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H25ClO
InChI InChI=1S/C28H25ClO/c29-28-24-18-8-3-11-19-25(24,28)26(20-12-4-1-5-13-20)22-16-9-10-17-23(22)27(28,30-26)21-14-6-2-7-15-21/h1-2,4-7,9-10,12-17,24H,3,8,11,18-19H2/t24-,25+,26+,27-,28-/m0/s1
InChIKey FJTGHGHYTKMRRW-WMJDNDCMSA-N
Molecular Weight 412.960 g/mol
SMILES [C@]123[C@@]([C@@]4(c5ccccc5)O[C@@]1(c1c4cccc1)c1ccccc1)(Cl)[C@]2(CCCCC3)[H]
SPLASH splash10-004i-0019000000-d6db69c26def6fbb956b
Source of Spectrum J-57-4082-10
Wiley ID 1374676