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1,2-bis(4-phenylbut-1-ynyl)cyclohept-1-ene
SpectraBase Compound ID CUdSl2q353J
InChI InChI=1S/C27H28/c1-4-14-24(15-5-1)18-10-12-22-26-20-8-3-9-21-27(26)23-13-11-19-25-16-6-2-7-17-25/h1-2,4-7,14-17H,3,8-11,18-21H2
InChIKey XPLBIKCUZWQWEL-UHFFFAOYSA-N
Mol Weight 352.52 g/mol
Molecular Formula C27H28
Exact Mass 352.219101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMKIiMxaJPr
Name 1,2-bis(4-phenylbut-1-ynyl)cyclohept-1-ene
Alternate Name(s) 1,2-bis(4-phenylbut-1-yn-1-yl)cyclohept-1-ene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H28
InChI InChI=1S/C27H28/c1-4-14-24(15-5-1)18-10-12-22-26-20-8-3-9-21-27(26)23-13-11-19-25-16-6-2-7-17-25/h1-2,4-7,14-17H,3,8-11,18-21H2
InChIKey XPLBIKCUZWQWEL-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201700231
Molecular Weight 352.521 g/mol
SMILES C1CC(=C(CCC1)C#CCCc1ccccc1)C#CCCc1ccccc1
SPLASH splash10-0f6x-4963000000-2995bd3c60649c5eca45
Source of Spectrum ASC-359-1637/SM14-1q
Wiley ID 1807591