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[(3Z)-hepta-3,6-dien-1-ynyl]benzene
SpectraBase Compound ID BIrhttow2Yk
InChI InChI=1S/C13H12/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,4-6,8-9,11-12H,1,3H2/b5-4-
InChIKey ZKLLRBWOELGKQH-PLNGDYQASA-N
Mol Weight 168.24 g/mol
Molecular Formula C13H12
Exact Mass 168.0939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BlRG1tmFga9
Name [(3Z)-hepta-3,6-dien-1-ynyl]benzene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12
InChI InChI=1S/C13H12/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h2,4-6,8-9,11-12H,1,3H2/b5-4-
InChIKey ZKLLRBWOELGKQH-PLNGDYQASA-N
Molecular Weight 168.239 g/mol
SMILES C(#Cc1ccccc1)\C=C/CC=C
SPLASH splash10-014i-0900000000-d0d2c32a41e054f904a3
Source of Spectrum F-56-3497-4
Wiley ID 857007