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3,6-hexano-4,5-oxepino-dimethyl-diacetate
SpectraBase Compound ID 2BYUmM7A90q
InChI InChI=1S/C18H24O5/c1-21-17(19)11-13-9-15-7-5-3-4-6-8-16(23-15)10-14(13)12-18(20)22-2/h9-10H,3-8,11-12H2,1-2H3
InChIKey DURPEKCASJCTRU-UHFFFAOYSA-N
Mol Weight 320.39 g/mol
Molecular Formula C18H24O5
Exact Mass 320.162374 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKEPDyFguuN
Name 3,6-hexano-4,5-oxepino-dimethyl-diacetate
CAS Registry Number 106710-76-3
Comments Less than 3 mono-isotopic peaks
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Formula C18H24O5
InChI InChI=1S/C18H24O5/c1-21-17(19)11-13-9-15-7-5-3-4-6-8-16(23-15)10-14(13)12-18(20)22-2/h9-10H,3-8,11-12H2,1-2H3
InChIKey DURPEKCASJCTRU-UHFFFAOYSA-N
Molecular Weight 320.385 g/mol
SMILES C1(=C(C=C2CCCCCCC(O2)=C1)CC(=O)OC)CC(=O)OC
SPLASH splash10-0uk9-0907000000-15ac9669f29d284d6839
Source of Spectrum K-120-773-3
Synonyms methyl[11-(2-methoxy-2-oxoethyl)-13-oxabicyclo[6.4.1]trideca-1(12),8,10-trien-10-yl]acetate
Wiley ID 1320140