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1,5,8,12-Cyclotetradecatetraene-3,10-diyne, 7,14-bis(3-bromopropyl)-2,5,9,12-tetrakis(1,1-dimethylethyl)-
SpectraBase Compound ID 7RF77bGpwCK
InChI InChI=1S/C36H54Br2/c1-33(2,3)29-17-18-30(34(4,5)6)25-28(16-14-22-38)26-32(36(10,11)12)20-19-31(35(7,8)9)24-27(23-29)15-13-21-37/h23-28H,13-16,21-22H2,1-12H3/b29-23+,30-25+,31-24+,32-26+
InChIKey FQVFNUXXPIIHHJ-AGUWKUANSA-N
Mol Weight 646.6 g/mol
Molecular Formula C36H54Br2
Exact Mass 644.259228 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I0Gz4hkgkgV
Name 1,5,8,12-Cyclotetradecatetraene-3,10-diyne, 7,14-bis(3-bromopropyl)-2,5,9,12-tetrakis(1,1-dimethylethyl)-
Alternate Name(s) 5,12-bis(bromopropyl)-5,12-dihydro-3,7,10,14-tetra-tert-butyl-1,8-didehydro[14]annulene 7,14-bis(3-bromopropyl)-2,5,9,12-tetratert-butyl-1,5,8,12-cyclotetradecatetraene-3,10-diyne
CAS Registry Number 109124-05-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H54Br2
InChI InChI=1S/C36H54Br2/c1-33(2,3)29-17-18-30(34(4,5)6)25-28(16-14-22-38)26-32(36(10,11)12)20-19-31(35(7,8)9)24-27(23-29)15-13-21-37/h23-28H,13-16,21-22H2,1-12H3/b29-23+,30-25+,31-24+,32-26+
InChIKey FQVFNUXXPIIHHJ-AGUWKUANSA-N
Molecular Weight 646.636 g/mol
SMILES C1#C\C(=C/C(\C=C\(C(C)(C)C)C#C\C(=C/C(\C=C/1C(C)(C)C)CCCBr)C(C)(C)C)CCCBr)C(C)(C)C
SPLASH splash10-005i-0000592000-907ca17be44336087f5d
Source of Spectrum C-109-5003-30
Wiley ID 1412840