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ethyl (1R*,2S*,4S*)-(+-)-1,2,3,4,5,6,7,8,9,10-decahydro-1,4-epoxybenzocyclooctene-2-carboxylate
SpectraBase Compound ID B2LQrDK0H4a
InChI InChI=1S/C15H22O3/c1-2-17-15(16)12-9-13-10-7-5-3-4-6-8-11(10)14(12)18-13/h12-14H,2-9H2,1H3/t12-,13-,14-/m0/s1
InChIKey NPVLYJKDCPZGFB-IHRRRGAJSA-N
Mol Weight 250.34 g/mol
Molecular Formula C15H22O3
Exact Mass 250.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hp1HjGzc4ap
Name ethyl (1R*,2S*,4S*)-(+-)-1,2,3,4,5,6,7,8,9,10-decahydro-1,4-epoxybenzocyclooctene-2-carboxylate
CAS Registry Number 114379-53-2
Comments Less than 3 mono-isotopic peaks
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Formula C15H22O3
InChI InChI=1S/C15H22O3/c1-2-17-15(16)12-9-13-10-7-5-3-4-6-8-11(10)14(12)18-13/h12-14H,2-9H2,1H3/t12-,13-,14-/m0/s1
InChIKey NPVLYJKDCPZGFB-IHRRRGAJSA-N
Molecular Weight 250.338 g/mol
SMILES [C@]12([C@](C[C@@](O2)([H])C2=C1CCCCCC2)(C(=O)OCC)[H])[H]
SPLASH splash10-0udi-0900000000-ef96239653a5ae350e15
Source of Spectrum K-121-1629-1
Synonyms ethyl (1S,10R,11S)-13-oxatricyclo[8.2.1.0(2,9)]tridec-2(9)-ene-11-carboxylate
Wiley ID 1253667