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trans-2-(E)-(Isopropyloxycarbonylmethylidene)-7-oxabicyclo[4.3.0]nonane
SpectraBase Compound ID 9K2m6Vmt491
InChI InChI=1S/C13H20O3/c1-9(2)16-13(14)8-10-4-3-5-12-11(10)6-7-15-12/h8-9,11-12H,3-7H2,1-2H3/b10-8+/t11-,12-/m0/s1
InChIKey BMCCTNZWSRTZDV-IMNITIESSA-N
Mol Weight 224.3 g/mol
Molecular Formula C13H20O3
Exact Mass 224.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EDoh2dcXF4d
Name trans-2-(E)-(Isopropyloxycarbonylmethylidene)-7-oxabicyclo[4.3.0]nonane
Comments Less than 3 mono-isotopic peaks
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Formula C13H20O3
InChI InChI=1S/C13H20O3/c1-9(2)16-13(14)8-10-4-3-5-12-11(10)6-7-15-12/h8-9,11-12H,3-7H2,1-2H3/b10-8+/t11-,12-/m0/s1
InChIKey BMCCTNZWSRTZDV-IMNITIESSA-N
Molecular Weight 224.300 g/mol
SMILES [C@]12(\C(CCC[C@@]2(OCC1)[H])=C\C(=O)OC(C)C)[H]
SPLASH splash10-00di-0390000000-4fb8d39d1665e90f58c7
Source of Spectrum QE-8-1453-11
Synonyms isopropyl (2E)-(3aS,7aS)-hexahydro-1-benzofuran-4(2H)-ylideneethanoate
Wiley ID 1557365