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2H-Cyclododeca[b]pyran-3-propanoic acid, 5,6,7,8,9,10,11,12,13,14-decahydro-.beta.,2-dioxo-, ethyl ester
SpectraBase Compound ID 9iSUM5Wl509
InChI InChI=1S/C20H28O5/c1-2-24-19(22)14-17(21)16-13-15-11-9-7-5-3-4-6-8-10-12-18(15)25-20(16)23/h13H,2-12,14H2,1H3
InChIKey XSXMIGREGZGCBX-UHFFFAOYSA-N
Mol Weight 348.44 g/mol
Molecular Formula C20H28O5
Exact Mass 348.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Yid4tn7qM2
Name 2H-Cyclododeca[b]pyran-3-propanoic acid, 5,6,7,8,9,10,11,12,13,14-decahydro-.beta.,2-dioxo-, ethyl ester
CAS Registry Number 62939-95-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H28O5
InChI InChI=1S/C20H28O5/c1-2-24-19(22)14-17(21)16-13-15-11-9-7-5-3-4-6-8-10-12-18(15)25-20(16)23/h13H,2-12,14H2,1H3
InChIKey XSXMIGREGZGCBX-UHFFFAOYSA-N
Molecular Weight 348.439 g/mol
SMILES C=1(C(OC2=C(C1)CCCCCCCCCC2)=O)C(CC(=O)OCC)=O
SPLASH splash10-0002-0019000000-1c29a6e62b3abfe56371
Source of Spectrum KC-1977-263-0
Synonyms Ethyl 3-oxo-3-(14-oxo-13-oxa-bicyclo(10.4.0)hexadec-1(12),15-dien-15-yl)propionete Ethyl 3-oxo-3-(2-oxo-5,6,7,8,9,10,11,12,13,14-decahydro-2H-cyclododeca[b]pyran-3-yl)propanoate
Wiley ID 1340699