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(4S,5R)-(-)-4-(1-hydroxy-1-ethylpropyl)-5-menthyloxy-3,4-dihydro-2(5H)-furanone
SpectraBase Compound ID LMCSDVrQxJT
InChI InChI=1S/C19H34O4/c1-6-19(21,7-2)15-11-17(20)23-18(15)22-16-10-13(5)8-9-14(16)12(3)4/h12-16,18,21H,6-11H2,1-5H3/t13?,14?,15-,16?,18-/m1/s1
InChIKey XLENGAAXTMKPPT-DXLCKIFSSA-N
Mol Weight 326.5 g/mol
Molecular Formula C19H34O4
Exact Mass 326.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BV4dUB1LrIt
Name (4S,5R)-(-)-4-(1-hydroxy-1-ethylpropyl)-5-menthyloxy-3,4-dihydro-2(5H)-furanone
Comments Computed using HOSE algorithm
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Exact Mass 326.245709571 u
Formula C19H34O4
InChI InChI=1S/C19H34O4/c1-6-19(21,7-2)15-11-17(20)23-18(15)22-16-10-13(5)8-9-14(16)12(3)4/h12-16,18,21H,6-11H2,1-5H3/t13?,14?,15-,16?,18-/m1/s1
InChIKey XLENGAAXTMKPPT-DXLCKIFSSA-N
Molecular Weight 326.477 g/mol
SMILES [C@]1([C@](C(O)(CC)CC)(CC(O1)=O)[H])(OC1C(CCC(C1)C)C(C)C)[H]