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

View entire compound with spectra: 1 MS (GC)

3-Decyl-2H-benzo[e][1,4]dioxepin-5(3H)-one
SpectraBase Compound ID AUkIqO5ubcA
InChI InChI=1S/C19H28O3/c1-2-3-4-5-6-7-8-9-12-16-15-21-18-14-11-10-13-17(18)19(20)22-16/h10-11,13-14,16H,2-9,12,15H2,1H3
InChIKey NFIZCZDHLNTPLI-UHFFFAOYSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGRfjzHa1I
Name 3-Decyl-2H-benzo[e][1,4]dioxepin-5(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-2-3-4-5-6-7-8-9-12-16-15-21-18-14-11-10-13-17(18)19(20)22-16/h10-11,13-14,16H,2-9,12,15H2,1H3
InChIKey NFIZCZDHLNTPLI-UHFFFAOYSA-N
Literature Reference DOI 10.1039/c3cc48490d
Molecular Weight 304.430 g/mol
SMILES c1ccc2c(C(=O)OC(CO2)CCCCCCCCCC)c1
SPLASH splash10-053r-0900000000-7b604dbd31e96d0bf553
Source of Spectrum KD-50-2114/SM-3d
Wiley ID 1754330