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PHENYLHEPTA-1,3,5-TRIYNE
SpectraBase Compound ID 8urFV8h73iS
InChI InChI=1S/C13H8/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,1H3
InChIKey ACKWHAMNCLDPRO-UHFFFAOYSA-N
Mol Weight 164.21 g/mol
Molecular Formula C13H8
Exact Mass 164.0626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iptRXVE1xa
Name Hepta-1,3,5-triyne<1-phenyl->
CAS Registry Number 4300-27-0
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 164.062600258 u
Formula C13H8
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm film thickness)
GC Oven Program 60 °C to 246 °C at 3 °C/min.
InChI InChI=1S/C13H8/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,1H3
InChIKey ACKWHAMNCLDPRO-UHFFFAOYSA-N
Molecular Weight 164.207 g/mol
Nominal Mass 164 u
Number of Peaks 118
SMILES c1(ccccc1)C#CC#CC#CC
SPLASH splash10-03dr-3900000000-d0499bd13ad7e672fbeb
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000645