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1,8-dioxacyclotetradec-11-yne-2,7-dione
SpectraBase Compound ID 5CfrUvUUiLU
InChI InChI=1S/C12H16O4/c13-11-7-3-4-8-12(14)16-10-6-2-1-5-9-15-11/h3-10H2
InChIKey PYMGOZLGCMVUPF-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2l8MzmjXNGK
Name 1,8-dioxacyclotetradec-11-yne-2,7-dione
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
InChI InChI=1S/C12H16O4/c13-11-7-3-4-8-12(14)16-10-6-2-1-5-9-15-11/h3-10H2
InChIKey PYMGOZLGCMVUPF-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 224.256 g/mol
Reported Formula C12H16O4
SMILES C1#CCCOC(=O)CCCCC(OCC1)=O
SPLASH splash10-004i-9000000000-c3393eace0a3de7034eb
Source of Spectrum DE102010023326A1
Wiley ID 1842882