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3,6-Hexanooxepine
SpectraBase Compound ID L7yBIquQd1I
InChI InChI=1S/C12H16O/c1-2-4-6-12-8-7-11(5-3-1)9-13-10-12/h7-10H,1-6H2
InChIKey NKTIJPVPIPGUCG-UHFFFAOYSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FxNT9aAkSjs
Name 3,6-Hexanooxepine
CAS Registry Number 106710-70-7
Comments Less than 3 mono-isotopic peaks
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Formula C12H16O
InChI InChI=1S/C12H16O/c1-2-4-6-12-8-7-11(5-3-1)9-13-10-12/h7-10H,1-6H2
InChIKey NKTIJPVPIPGUCG-UHFFFAOYSA-N
Molecular Weight 176.259 g/mol
SMILES C=1OC=C2C=CC1CCCCCC2
SPLASH splash10-004l-8900000000-b8cf26f98be70d8ce062
Source of Spectrum K-120-772-3
Synonyms 10-oxabicyclo[6.3.2]trideca-1(11),8,12-triene
Wiley ID 1172769