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3-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepin

View entire compound with spectra: 1 MS (GC)

3-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepin
SpectraBase Compound ID A8BY5PZBfbW
InChI InChI=1S/C13H18O2/c1-13(2,3)10-8-14-11-6-4-5-7-12(11)15-9-10/h4-7,10H,8-9H2,1-3H3
InChIKey RBOZUTHHZLLJOQ-UHFFFAOYSA-N
Mol Weight 206.28 g/mol
Molecular Formula C13H18O2
Exact Mass 206.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAHg5bNfu4B
Name 3-tert-butyl-3,4-dihydro-2H-1,5-benzodioxepin
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O2
InChI InChI=1S/C13H18O2/c1-13(2,3)10-8-14-11-6-4-5-7-12(11)15-9-10/h4-7,10H,8-9H2,1-3H3
InChIKey RBOZUTHHZLLJOQ-UHFFFAOYSA-N
Molecular Weight 206.285 g/mol
SMILES c12OCC(COc2cccc1)C(C)(C)C
SPLASH splash10-0006-0920000000-f7b9691e04437fbb8bcb
Source of Spectrum AH-125-456-6
Wiley ID 1204852