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(5S)-5-(l-Menthyloxy)-4-(pyrrolidin-1-yl)furan-2(5H)-one
SpectraBase Compound ID L2UGkXqFvpq
InChI InChI=1S/C18H29NO3/c1-12(2)14-7-6-13(3)10-16(14)21-18-15(11-17(20)22-18)19-8-4-5-9-19/h11-14,16,18H,4-10H2,1-3H3/t13?,14?,16?,18-/m0/s1
InChIKey CETHNPCJDBPXLA-FHGQALRQSA-N
Mol Weight 307.43 g/mol
Molecular Formula C18H29NO3
Exact Mass 307.214744 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CFRAXrELbXb
Name (5S)-5-(L-Menthyloxy)-4-(pyrrolidin-1-yl)furan-2(5H)-one
Comments Computed using HOSE algorithm
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Exact Mass 307.214743795 u
Formula C18H29NO3
InChI InChI=1S/C18H29NO3/c1-12(2)14-7-6-13(3)10-16(14)21-18-15(11-17(20)22-18)19-8-4-5-9-19/h11-14,16,18H,4-10H2,1-3H3/t13?,14?,16?,18-/m0/s1
InChIKey CETHNPCJDBPXLA-FHGQALRQSA-N
SMILES C=1([C@](OC(C1)=O)(OC1C(CCC(C1)C)C(C)C)[H])N1CCCC1