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1-[(1S',2R',5S')-2-Isopropenyl-5-methylcyclohexanoxymethyl]methyl-(S)-2-pyrrolidone-5-carboxylate
SpectraBase Compound ID K7Gd3lJ0drt
InChI InChI=1S/C17H27NO4/c1-11(2)13-6-5-12(3)9-15(13)22-10-18-14(17(20)21-4)7-8-16(18)19/h12-15H,1,5-10H2,2-4H3/t12-,13+,14-,15-/m0/s1
InChIKey NJYJPDQZTGORQN-XGUBFFRZSA-N
Mol Weight 309.41 g/mol
Molecular Formula C17H27NO4
Exact Mass 309.194008 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGYhC5sl9rH
Name 1-[(1S',2R',5S')-2-Isopropenyl-5-methylcyclohexanoxymethyl]methyl-(S)-2-pyrrolidone-5-carboxylate
Alternate Name(s) Methyl (2S)-1-({[(1S,2R,5S)-2-isopropenyl-5-methylcyclohexyl]oxy}methyl)-5-oxo-2-pyrrolidinecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H27NO4
InChI InChI=1S/C17H27NO4/c1-11(2)13-6-5-12(3)9-15(13)22-10-18-14(17(20)21-4)7-8-16(18)19/h12-15H,1,5-10H2,2-4H3/t12-,13+,14-,15-/m0/s1
InChIKey NJYJPDQZTGORQN-XGUBFFRZSA-N
Molecular Weight 309.406 g/mol
SMILES [C@]1(N(C(CC1)=O)CO[C@@]1([C@@](C(=C)C)(CC[C@@](C1)(C)[H])[H])[H])(C(=O)OC)[H]
SPLASH splash10-056r-1900000000-f58cdad49622d237eb5b
Source of Spectrum KD-16-3983-8
Wiley ID 1638061