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(R)-12-Acetoxycaryophyllene-(R,R)-4,5-epoxide

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

(R)-12-Acetoxycaryophyllene-(R,R)-4,5-epoxide
SpectraBase Compound ID 70IPsyvKAI2
InChI InChI=1S/C17H26O3/c1-11-5-6-15-17(4,20-15)8-7-14-13(11)9-16(14,3)10-19-12(2)18/h13-15H,1,5-10H2,2-4H3/t13-,14-,15-,16+,17-/m1/s1
InChIKey QMEHRJIWHMMRNN-OVYGPGRDSA-N
Mol Weight 278.39 g/mol
Molecular Formula C17H26O3
Exact Mass 278.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 16yvGmyKtkA
Name (R)-12-Acetoxycaryophyllene-(R,R)-4,5-epoxide
Comments Computed using HOSE algorithm
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Exact Mass 278.188194694 u
Formula C17H26O3
InChI InChI=1S/C17H26O3/c1-11-5-6-15-17(4,20-15)8-7-14-13(11)9-16(14,3)10-19-12(2)18/h13-15H,1,5-10H2,2-4H3/t13-,14-,15-,16+,17-/m1/s1
InChIKey QMEHRJIWHMMRNN-OVYGPGRDSA-N
Molecular Weight 278.392 g/mol
SMILES C1C[C@@]2([C@](CC[C@]3([C@@](C[C@]3([H])C1=C)(COC(C)=O)C)[H])(C)O2)[H]