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1,3-Cycloheptadiene, 2-(phenylethynyl)-
SpectraBase Compound ID 3WrQtngpp8Y
InChI InChI=1S/C15H14/c1-2-5-9-14(8-4-1)12-13-15-10-6-3-7-11-15/h3-4,6-11H,1-2,5H2
InChIKey OBQJQBHAILDNBI-UHFFFAOYSA-N
Mol Weight 194.28 g/mol
Molecular Formula C15H14
Exact Mass 194.10955 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQ9bFsWUW8
Name 1,3-Cycloheptadiene, 2-(phenylethynyl)-
Alternate Name(s) 2-(Phenylethynyl)-1,3-cycloheptadiene
CAS Registry Number 97861-78-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H14
InChI InChI=1S/C15H14/c1-2-5-9-14(8-4-1)12-13-15-10-6-3-7-11-15/h3-4,6-11H,1-2,5H2
InChIKey OBQJQBHAILDNBI-UHFFFAOYSA-N
Molecular Weight 194.277 g/mol
SMILES C(#Cc1ccccc1)C=1C=CCCCC1
SPLASH splash10-016u-0900000000-d289499af3304aec8a18
Source of Spectrum J-50-3907-33
Wiley ID 1191686