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3-((Benzyloxy)methyl)-2H-benzo[e][1,4]dioxepin-5(3H)-one

View entire compound with spectra: 1 MS (GC)

3-((Benzyloxy)methyl)-2H-benzo[e][1,4]dioxepin-5(3H)-one
SpectraBase Compound ID Ieudh6uaLTV
InChI InChI=1S/C17H16O4/c18-17-15-8-4-5-9-16(15)20-12-14(21-17)11-19-10-13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKey OJJQBOROKHGHAL-UHFFFAOYSA-N
Mol Weight 284.31 g/mol
Molecular Formula C17H16O4
Exact Mass 284.104859 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F98bfiv79DE
Name 3-((Benzyloxy)methyl)-2H-benzo[e][1,4]dioxepin-5(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4
InChI InChI=1S/C17H16O4/c18-17-15-8-4-5-9-16(15)20-12-14(21-17)11-19-10-13-6-2-1-3-7-13/h1-9,14H,10-12H2
InChIKey OJJQBOROKHGHAL-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c3cc48490d
Molecular Weight 284.311 g/mol
SMILES c1cc2c(cc1)OCC(COCc1ccccc1)OC2=O
SPLASH splash10-00a6-4920000000-73f336ee1453a51771da
Source of Spectrum KD-50-2114/SM-3k
Wiley ID 1754335