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Ethyl 4-(hex-1'-ynyl)cyclohepta-2,4,6-triene-1-carboxylate
SpectraBase Compound ID 4EhV5XNIHDE
InChI InChI=1S/C16H20O2/c1-3-5-6-7-9-14-10-8-11-15(13-12-14)16(17)18-4-2/h8,10-13,15H,3-6H2,1-2H3
InChIKey WSXLLNACYWCAAI-UHFFFAOYSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 225CWORdHIr
Name Ethyl 4-(hex-1'-ynyl)cyclohepta-2,4,6-triene-1-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-3-5-6-7-9-14-10-8-11-15(13-12-14)16(17)18-4-2/h8,10-13,15H,3-6H2,1-2H3
InChIKey WSXLLNACYWCAAI-UHFFFAOYSA-N
Molecular Weight 244.334 g/mol
SMILES C(C=1C=CC(C(=O)OCC)C=CC1)#CCCCC
SPLASH splash10-00di-1910000000-a888402da114b2180e81
Source of Spectrum H-78-140-12
Synonyms Ethyl 4-(1-hexynyl)-2,4,6-cycloheptatriene-1-carboxylate
Wiley ID 1247478