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1-Bromotrideca-1,3,5-trien-7-yne

View entire compound with spectra: 1 MS (GC)

1-Bromotrideca-1,3,5-trien-7-yne
SpectraBase Compound ID 2QUMynMBemG
InChI InChI=1S/C13H17Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h8-13H,2-5H2,1H3/b9-8+,11-10+,13-12+
InChIKey XQHCIOQJUWFOML-GTEMLCSVSA-N
Mol Weight 253.18 g/mol
Molecular Formula C13H17Br
Exact Mass 252.051364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMHW67r5Oo9
Name 1-Bromotrideca-1,3,5-trien-7-yne
Alternate Name(s) (1E,3E,5E)-1-bromo-1,3,5-tridecatrien-7-yne
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17Br
InChI InChI=1S/C13H17Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h8-13H,2-5H2,1H3/b9-8+,11-10+,13-12+
InChIKey XQHCIOQJUWFOML-GTEMLCSVSA-N
Molecular Weight 253.183 g/mol
SMILES C(#CCCCCC)\C=C\C=C\C=C\Br
SPLASH splash10-0gb9-0970000000-cb1464469319a0e6dceb
Source of Spectrum K1-2001-569-1
Wiley ID 846714