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2-(2-phenylethynyl)-1-cycloheptenecarboxaldehyde

View entire compound with spectra: 1 MS (GC)

2-(2-phenylethynyl)-1-cycloheptenecarboxaldehyde
SpectraBase Compound ID J4ehWJumfvh
InChI InChI=1S/C16H16O/c17-13-16-10-6-2-5-9-15(16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKey MYNJWFOCQWAURU-UHFFFAOYSA-N
Mol Weight 224.3 g/mol
Molecular Formula C16H16O
Exact Mass 224.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPL1cStpNM9
Name 2-(2-phenylethynyl)-1-cycloheptenecarboxaldehyde
Alternate Name(s) 2-(2-phenylethynyl)cycloheptene-1-carbaldehyde
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16O
InChI InChI=1S/C16H16O/c17-13-16-10-6-2-5-9-15(16)12-11-14-7-3-1-4-8-14/h1,3-4,7-8,13H,2,5-6,9-10H2
InChIKey MYNJWFOCQWAURU-UHFFFAOYSA-N
Molecular Weight 224.303 g/mol
SMILES C1(=C(CCCCC1)C#Cc1ccccc1)C=O
SPLASH splash10-01b9-0950000000-debe9f67cd8cf5169777
Source of Spectrum K-2001-1336-2
Wiley ID 1580409