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4'-Bromo-2'(E)-butenyl 2-octynoate
SpectraBase Compound ID KajJS8DVfEI
InChI InChI=1S/C12H17BrO2/c1-2-3-4-5-6-9-12(14)15-11-8-7-10-13/h7-8H,2-5,10-11H2,1H3/b8-7+
InChIKey HDEDCZOXNWEPAQ-BQYQJAHWSA-N
Mol Weight 273.17 g/mol
Molecular Formula C12H17BrO2
Exact Mass 272.041193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38Z95M3p6W5
Name 4'-Bromo-2'(E)-butenyl 2-octynoate
CAS Registry Number 129178-06-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H17BrO2
InChI InChI=1S/C12H17BrO2/c1-2-3-4-5-6-9-12(14)15-11-8-7-10-13/h7-8H,2-5,10-11H2,1H3/b8-7+
InChIKey HDEDCZOXNWEPAQ-BQYQJAHWSA-N
Molecular Weight 273.170 g/mol
SMILES C(#CCCCCC)C(=O)OC\C=C\CBr
SPLASH splash10-0udi-9300000000-249f30d41f43b0d4292d
Source of Spectrum J-56-5124-1
Synonyms (2E)-4-bromo-2-butenyl 2-octynoate
Wiley ID 1275784