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6-Cyclopropyl-2H-1,5-benzodioxepin-3(4H)-one
SpectraBase Compound ID FPjKY3u875U
InChI InChI=1S/C12H12O3/c13-9-6-14-11-3-1-2-10(8-4-5-8)12(11)15-7-9/h1-3,8H,4-7H2
InChIKey MBSBKIQACOXWBR-UHFFFAOYSA-N
Mol Weight 204.22 g/mol
Molecular Formula C12H12O3
Exact Mass 204.078644 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9akeEoFvorz
Name 6-Cyclopropyl-2H-1,5-benzodioxepin-3(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12O3
InChI InChI=1S/C12H12O3/c13-9-6-14-11-3-1-2-10(8-4-5-8)12(11)15-7-9/h1-3,8H,4-7H2
InChIKey MBSBKIQACOXWBR-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.201800048
Molecular Weight 204.225 g/mol
SMILES C1(CC1)c1c2OCC(COc2ccc1)=O
SPLASH splash10-0udl-9640000000-1481207bdb79d39a3595
Source of Spectrum H-101-10-27
Synonyms 6-cyclopropyl-2H-benzo[b][1,4]dioxepin-3(4H)-one
Wiley ID 1812927