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2,20-Dioxabicyclo[14.3.1]eicosa-3,6,9,16,19-pentaen-12-yn-18-one, 3-ethyl-
SpectraBase Compound ID 3MSF0UlxrJg
InChI InChI=1S/C20H22O3/c1-2-18-13-11-9-7-5-3-4-6-8-10-12-14-19-15-17(21)16-20(22-18)23-19/h3-4,7,9,13,15-16H,2,5-6,11-12,14H2,1H3/b4-3-,9-7-,18-13-
InChIKey QHCDJYXSDHUQKU-ITFBAQLQSA-N
Mol Weight 310.39 g/mol
Molecular Formula C20H22O3
Exact Mass 310.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3tfTClIhL9f
Name 2,20-Dioxabicyclo[14.3.1]eicosa-3,6,9,16,19-pentaen-12-yn-18-one, 3-ethyl-
CAS Registry Number 81575-26-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22O3
InChI InChI=1S/C20H22O3/c1-2-18-13-11-9-7-5-3-4-6-8-10-12-14-19-15-17(21)16-20(22-18)23-19/h3-4,7,9,13,15-16H,2,5-6,11-12,14H2,1H3/b4-3-,9-7-,18-13-
InChIKey QHCDJYXSDHUQKU-ITFBAQLQSA-N
Molecular Weight 310.393 g/mol
SMILES C12=CC(=O)C=C(O2)CCC#CC\C=C/C\C=C/C\C=C\(O1)CC
SPLASH splash10-004i-9520000000-15a58cacd4b38af1fdc6
Source of Spectrum B-35-119-0
Synonyms (12Z,15Z)-19-ethyl-2,6-epoxy-1-oxacyclononadeca-2,5,12,15,18-pentaen-9-yn-4-one 3-Ethyl-2,20-dioxabicyclo[14.3.1]icosa-1(19),3,6,9,16-pentaen-12-yn-18-one
Wiley ID 1311857