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(4S,5R,6R,9R)-4,5-Epoxy-4,5-dihydro.alpha.-ionol o acetate
SpectraBase Compound ID 7Zf7Da4B75P
InChI InChI=1S/C15H24O3/c1-10(17-11(2)16)6-7-12-14(3,4)9-8-13-15(12,5)18-13/h6-7,10,12-13H,8-9H2,1-5H3/b7-6+/t10-,12-,13+,15-/m1/s1
InChIKey KIMDJDKQAXAMOJ-XUINHMQOSA-N
Mol Weight 252.35 g/mol
Molecular Formula C15H24O3
Exact Mass 252.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LpJRGopxtwY
Name (4S,5R,6R,9R)-4,5-Epoxy-4,5-dihydro.alpha.-ionol o acetate
Comments Computed using HOSE algorithm
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Exact Mass 252.172544630 u
Formula C15H24O3
InChI InChI=1S/C15H24O3/c1-10(17-11(2)16)6-7-12-14(3,4)9-8-13-15(12,5)18-13/h6-7,10,12-13H,8-9H2,1-5H3/b7-6+/t10-,12-,13+,15-/m1/s1
InChIKey KIMDJDKQAXAMOJ-XUINHMQOSA-N
Molecular Weight 252.354 g/mol
SMILES [C@]12(O[C@]2(CCC([C@]1(\C=C\[C@](OC(=O)C)(C)[H])[H])(C)C)[H])C