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2-(2E-3-Phenylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene
SpectraBase Compound ID BQPZ1aLEbep
InChI InChI=1S/C16H16O2/c1-2-6-14(7-3-1)8-4-9-15-10-12-16(18-15)11-5-13-17-16/h1-4,6-10,12H,5,11,13H2/b8-4+,15-9+
InChIKey AZGXJUJPIQMIRL-XRCNLDATSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CslQxRPn2UA
Name 2-(2E-3-Phenylprop-2-enylidene)-1,6-dioxaspiro[4.4]non-3-ene
Comments Computed using HOSE algorithm
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Exact Mass 240.115029753 u
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-2-6-14(7-3-1)8-4-9-15-10-12-16(18-15)11-5-13-17-16/h1-4,6-10,12H,5,11,13H2/b8-4+,15-9+
InChIKey AZGXJUJPIQMIRL-XRCNLDATSA-N
Molecular Weight 240.302 g/mol
SMILES C12(O\C(=C\C=C\C=3C=CC=CC3)C=C1)OCCC2