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7-tert-Butyl-1,5-benzodioxepin-3-one
SpectraBase Compound ID GCn5In2pXzi
InChI InChI=1S/C13H16O3/c1-13(2,3)9-4-5-11-12(6-9)16-8-10(14)7-15-11/h4-6H,7-8H2,1-3H3
InChIKey VFQHMVHBTUURKJ-UHFFFAOYSA-N
Mol Weight 220.27 g/mol
Molecular Formula C13H16O3
Exact Mass 220.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPLxFMXE6Fs
Name 7-tert-Butyl-1,5-benzodioxepin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3
InChI InChI=1S/C13H16O3/c1-13(2,3)9-4-5-11-12(6-9)16-8-10(14)7-15-11/h4-6H,7-8H2,1-3H3
InChIKey VFQHMVHBTUURKJ-UHFFFAOYSA-N
Molecular Weight 220.268 g/mol
SMILES C1Oc2c(OCC1=O)cc(cc2)C(C)(C)C
SPLASH splash10-0a4i-1190000000-48835b4ecf57b22de2ee
Source of Spectrum H-90-1025-17
Wiley ID 1590700