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6-(2-Methylcyclopropyl)-2H-1,5-benzodioxepin-3(4H)-one

View entire compound with spectra: 1 MS (GC)

6-(2-Methylcyclopropyl)-2H-1,5-benzodioxepin-3(4H)-one
SpectraBase Compound ID 3QEdP2w1NPe
InChI InChI=1S/C13H14O3/c1-8-5-11(8)10-3-2-4-12-13(10)16-7-9(14)6-15-12/h2-4,8,11H,5-7H2,1H3
InChIKey TVBICCJHTLGRBF-UHFFFAOYSA-N
Mol Weight 218.25 g/mol
Molecular Formula C13H14O3
Exact Mass 218.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XqQoNy2Tsl
Name 6-(2-Methylcyclopropyl)-2H-1,5-benzodioxepin-3(4H)-one
Alternate Name(s) 6-(2-Methylcyclopropyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14O3
InChI InChI=1S/C13H14O3/c1-8-5-11(8)10-3-2-4-12-13(10)16-7-9(14)6-15-12/h2-4,8,11H,5-7H2,1H3
InChIKey TVBICCJHTLGRBF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201800048
Molecular Weight 218.252 g/mol
SMILES CC1C(C1)c1c2OCC(COc2ccc1)=O
SPLASH splash10-014i-6970000000-a49e14293183cb935283
Source of Spectrum H-101-12-32
Wiley ID 1812931