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diethyl 1a,2a,3a,4a-tetrahydro-8-oxo-3a,5a-hexanooxireno[b,f]oxepine-4,5-dicarboxylate
SpectraBase Compound ID EjGsE5Vx9AQ
InChI InChI=1S/C18H22O8/c1-3-22-13(20)11-12(14(21)23-4-2)18-9-7-10(19)6-5-8-17(11)15(25-17)24-16(18)26-18/h15-16H,3-9H2,1-2H3
InChIKey GBGSKUJODZKNHK-UHFFFAOYSA-N
Mol Weight 366.37 g/mol
Molecular Formula C18H22O8
Exact Mass 366.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 36tNdhGoYj
Name diethyl 1a,2a,3a,4a-tetrahydro-8-oxo-3a,5a-hexanooxireno[b,f]oxepine-4,5-dicarboxylate
CAS Registry Number 120744-12-9
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22O8
InChI InChI=1S/C18H22O8/c1-3-22-13(20)11-12(14(21)23-4-2)18-9-7-10(19)6-5-8-17(11)15(25-17)24-16(18)26-18/h15-16H,3-9H2,1-2H3
InChIKey GBGSKUJODZKNHK-UHFFFAOYSA-N
Molecular Weight 366.366 g/mol
SMILES C123C(=C(C4(CCCC(CC3)=O)C(OC1O2)O4)C(=O)OCC)C(=O)OCC
SPLASH splash10-0a4i-9002000000-2f97601c1ca6e703e18f
Source of Spectrum K-122-1657-8
Synonyms diethyl 4-oxo-9,11,13-trioxatetracyclo[6.5.2.0(1,12).0(8,10)]pentadec-14-ene-14,15-dicarboxylate
Wiley ID 1351812