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6-(Cyclopropylmethyl)-2H-1,5-benzodioxepin-3(4H)-one
SpectraBase Compound ID IOo0OjsxNuz
InChI InChI=1S/C13H14O3/c14-11-7-15-12-3-1-2-10(6-9-4-5-9)13(12)16-8-11/h1-3,9H,4-8H2
InChIKey FRPWNHDGCKHECY-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 HZATAMcTBor
Name 6-(Cyclopropylmethyl)-2H-1,5-benzodioxepin-3(4H)-one
Alternate Name(s) 6-(cyclopropylmethyl)-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/c14-11-7-15-12-3-1-2-10(6-9-4-5-9)13(12)16-8-11/h1-3,9H,4-8H2
InChIKey FRPWNHDGCKHECY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201800048
Molecular Weight 218.252 g/mol
SMILES C1(CC1)Cc1c2OCC(COc2ccc1)=O
SPLASH splash10-004i-7920000000-85f2c15b638668e7baa8
Source of Spectrum H-101-14-39
Wiley ID 1812936