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(1'E)-7-(3'-Methylbut-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one
SpectraBase Compound ID Il1AWXOC0zv
InChI InChI=1S/C14H16O3/c1-10(2)3-4-11-5-6-13-14(7-11)17-9-12(15)8-16-13/h3-7,10H,8-9H2,1-2H3/b4-3+
InChIKey CEHRXOGADASRLB-ONEGZZNKSA-N
Mol Weight 232.28 g/mol
Molecular Formula C14H16O3
Exact Mass 232.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6WGf9h9hamB
Name (1'E)-7-(3'-Methylbut-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16O3
InChI InChI=1S/C14H16O3/c1-10(2)3-4-11-5-6-13-14(7-11)17-9-12(15)8-16-13/h3-7,10H,8-9H2,1-2H3/b4-3+
InChIKey CEHRXOGADASRLB-ONEGZZNKSA-N
Molecular Weight 232.279 g/mol
SMILES c12OCC(COc2ccc(\C=C\C(C)C)c1)=O
SPLASH splash10-0159-2090000000-23378e02b9175709b301
Source of Spectrum F4-42-3034-15
Wiley ID 1674803