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(7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) acetate

View entire compound with spectra: 1 MS (GC)

(7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) acetate
SpectraBase Compound ID nxLYqoz2e3
InChI InChI=1S/C12H14O4/c1-8-3-4-11-12(5-8)15-7-10(6-14-11)16-9(2)13/h3-5,10H,6-7H2,1-2H3
InChIKey FUKNOGOBGUWQIJ-UHFFFAOYSA-N
Mol Weight 222.24 g/mol
Molecular Formula C12H14O4
Exact Mass 222.089209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6cFXAHPV74L
Name (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) acetate
Alternate Name(s) (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) ethanoate Acetic acid (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) ester
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Formula C12H14O4
InChI InChI=1S/C12H14O4/c1-8-3-4-11-12(5-8)15-7-10(6-14-11)16-9(2)13/h3-5,10H,6-7H2,1-2H3
InChIKey FUKNOGOBGUWQIJ-UHFFFAOYSA-N
Molecular Weight 222.240 g/mol
SMILES C(C)(=O)OC1COc2c(OC1)cc(cc2)C
SPLASH splash10-01p6-9710000000-cd79827f1136e72f58b3
Source of Spectrum H-90-862-8
Wiley ID 1590674