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1-[(1R',2S',5R')-2-Isopropenyl-5-methylcyclohexanoxymethyl]methyl-(S)-2-pyrrolidone-5-carboxylate
SpectraBase Compound ID HxP54cWwney
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-/m1/s1
InChIKey NJYJPDQZTGORQN-CBBWQLFWSA-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 2eqmC2oVCc
Name 1-[(1R',2S',5R')-2-Isopropenyl-5-methylcyclohexanoxymethyl]methyl-(S)-2-pyrrolidone-5-carboxylate
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-/m1/s1
InChIKey NJYJPDQZTGORQN-CBBWQLFWSA-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-2900000000-156e2d5013be7cdfa0dd
Source of Spectrum KD-16-3983-7
Synonyms Methyl (2S)-1-({[(1R,2S,5R)-2-isopropenyl-5-methylcyclohexyl]oxy}methyl)-5-oxo-2-pyrrolidinecarboxylate
Wiley ID 1638062