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3-(tert-Butoxymethyl)-2H-benzo[e][1,4]dioxepin-5(3H)-one
SpectraBase Compound ID 2BGjMNV4FwV
InChI InChI=1S/C14H18O4/c1-14(2,3)17-9-10-8-16-12-7-5-4-6-11(12)13(15)18-10/h4-7,10H,8-9H2,1-3H3
InChIKey NIUDLOQZUDBDOA-UHFFFAOYSA-N
Mol Weight 250.29 g/mol
Molecular Formula C14H18O4
Exact Mass 250.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EtNZyeHyc5x
Name 3-(tert-Butoxymethyl)-2H-benzo[e][1,4]dioxepin-5(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O4
InChI InChI=1S/C14H18O4/c1-14(2,3)17-9-10-8-16-12-7-5-4-6-11(12)13(15)18-10/h4-7,10H,8-9H2,1-3H3
InChIKey NIUDLOQZUDBDOA-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c3cc48490d
Molecular Weight 250.294 g/mol
SMILES c1cc2c(cc1)OCC(OC2=O)COC(C)(C)C
SPLASH splash10-00di-0920000000-7176f66d5c1094eb1fab
Source of Spectrum KD-50-2114/SM-3g
Wiley ID 1754332