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1,1,4,4-Tetrakis(4-bromophenyl)but-2-yne-1,4-diol
SpectraBase Compound ID J0XOoxW1Fhh
InChI InChI=1S/C28H18Br4O2/c29-23-9-1-19(2-10-23)27(33,20-3-11-24(30)12-4-20)17-18-28(34,21-5-13-25(31)14-6-21)22-7-15-26(32)16-8-22/h1-16,33-34H
InChIKey VJXAXULTWIWZKF-UHFFFAOYSA-N
Mol Weight 706.07 g/mol
Molecular Formula C28H18Br4O2
Exact Mass 701.804032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HVtKBulHPI6
Name 1,1,4,4-Tetrakis(4-bromophenyl)but-2-yne-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H18Br4O2
InChI InChI=1S/C28H18Br4O2/c29-23-9-1-19(2-10-23)27(33,20-3-11-24(30)12-4-20)17-18-28(34,21-5-13-25(31)14-6-21)22-7-15-26(32)16-8-22/h1-16,33-34H
InChIKey VJXAXULTWIWZKF-UHFFFAOYSA-N
Instrument Name FINNIGAN SSQ7000
Ionization Type EI Positive ion
Literature Reference DOI 10.1002/anie.201905670
Molecular Weight 706.066 g/mol
Reported Formula C28H18Br4O2
SMILES OC(C#CC(c1ccc(cc1)Br)(c1ccc(cc1)Br)O)(c1ccc(cc1)Br)c1ccc(cc1)Br
SPLASH splash10-0019-0911000000-6f9f6b2d01ce29fbbee1
Source of Spectrum ACI-58-SM12-2f
Wiley ID 1875492