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(1'E)-7-(3'-Methylpent-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one

View entire compound with spectra: 1 MS (GC)

(1'E)-7-(3'-Methylpent-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one
SpectraBase Compound ID 6hIfmmKzM9e
InChI InChI=1S/C15H18O3/c1-3-11(2)4-5-12-6-7-14-15(8-12)18-10-13(16)9-17-14/h4-8,11H,3,9-10H2,1-2H3/b5-4+
InChIKey SIHDWJAEHOOPDC-SNAWJCMRSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dna9lZZQ1Hv
Name (1'E)-7-(3'-Methylpent-1'-enyl)-2H-benzo[b][1,4]dioxepin-3(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-3-11(2)4-5-12-6-7-14-15(8-12)18-10-13(16)9-17-14/h4-8,11H,3,9-10H2,1-2H3/b5-4+
InChIKey SIHDWJAEHOOPDC-SNAWJCMRSA-N
Molecular Weight 246.306 g/mol
SMILES c12OCC(COc2ccc(\C=C\C(CC)C)c1)=O
SPLASH splash10-0udi-1090000000-b41989d421bd4cc5c5fb
Source of Spectrum F4-42-3035-20
Wiley ID 1674798