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4-methyl-3,6-hexanooxepine
SpectraBase Compound ID 6a6beogN5yT
InChI InChI=1S/C13H18O/c1-11-8-12-6-4-2-3-5-7-13(11)10-14-9-12/h8-10H,2-7H2,1H3
InChIKey CKRBOZDHFSPFJK-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cxh1uoi0RU
Name 4-methyl-3,6-hexanooxepine
CAS Registry Number 106710-71-8
Comments Less than 3 mono-isotopic peaks
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Formula C13H18O
InChI InChI=1S/C13H18O/c1-11-8-12-6-4-2-3-5-7-13(11)10-14-9-12/h8-10H,2-7H2,1H3
InChIKey CKRBOZDHFSPFJK-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES C1(=CC2=COC=C1CCCCCC2)C
SPLASH splash10-0a4l-0900000000-6990b15d3058e9e34eda
Source of Spectrum K-120-772-3
Synonyms 12-methyl-10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene
Wiley ID 1187041