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(1'E)-7-(4',4'-Dimethylpent-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one
SpectraBase Compound ID JMFWcq97Pxd
InChI InChI=1S/C16H20O3/c1-16(2,3)8-4-5-12-6-7-14-15(9-12)19-11-13(17)10-18-14/h4-7,9H,8,10-11H2,1-3H3/b5-4+
InChIKey OVUKUNJZNYQXJW-SNAWJCMRSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhdH8nINzIA
Name (1'E)-7-(4',4'-Dimethylpent-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-16(2,3)8-4-5-12-6-7-14-15(9-12)19-11-13(17)10-18-14/h4-7,9H,8,10-11H2,1-3H3/b5-4+
InChIKey OVUKUNJZNYQXJW-SNAWJCMRSA-N
Molecular Weight 260.333 g/mol
SMILES c12OCC(COc2ccc(\C=C\CC(C)(C)C)c1)=O
SPLASH splash10-0udi-1090000000-9910adf4b8146b8246e4
Source of Spectrum F4-42-3036-19
Wiley ID 1674799