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

View entire compound with spectra: 1 MS (GC)

(7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) benzoate
SpectraBase Compound ID 2ItMaAojUz8
InChI InChI=1S/C17H16O4/c1-12-7-8-15-16(9-12)20-11-14(10-19-15)21-17(18)13-5-3-2-4-6-13/h2-9,14H,10-11H2,1H3
InChIKey YFTICDTYQWAPRE-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 FzeEuWF4VLV
Name (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) benzoate
Alternate Name(s) benzoic acid (7-methyl-3,4-dihydro-2H-1,5-benzodioxepin-3-yl) ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16O4
InChI InChI=1S/C17H16O4/c1-12-7-8-15-16(9-12)20-11-14(10-19-15)21-17(18)13-5-3-2-4-6-13/h2-9,14H,10-11H2,1H3
InChIKey YFTICDTYQWAPRE-UHFFFAOYSA-N
Molecular Weight 284.311 g/mol
SMILES C(c1ccccc1)(=O)OC1COc2c(OC1)cc(cc2)C
SPLASH splash10-08fr-2920000000-2071c97d3a99db30325f
Source of Spectrum H-90-862-9
Wiley ID 1590673