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(1R,3R,4S)-(-)-menthyl 2-oxo-1-(3-oxobutyl)cyclopentanecarboxylate

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(1R,3R,4S)-(-)-menthyl 2-oxo-1-(3-oxobutyl)cyclopentanecarboxylate
SpectraBase Compound ID CP6oF1lGJSE
InChI InChI=1S/C20H32O4/c1-13(2)16-8-7-14(3)12-17(16)24-19(23)20(11-9-15(4)21)10-5-6-18(20)22/h13-14,16-17H,5-12H2,1-4H3/t14-,16+,17-,20?/m1/s1
InChIKey TUYBCTCPZAGASA-IUINDACWSA-N
Mol Weight 336.5 g/mol
Molecular Formula C20H32O4
Exact Mass 336.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HXvAQqCRUsX
Name (1R,3R,4S)-(-)-menthyl 2-oxo-1-(3-oxobutyl)cyclopentanecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.230059506 u
Formula C20H32O4
InChI InChI=1S/C20H32O4/c1-13(2)16-8-7-14(3)12-17(16)24-19(23)20(11-9-15(4)21)10-5-6-18(20)22/h13-14,16-17H,5-12H2,1-4H3/t14-,16+,17-,20?/m1/s1
InChIKey TUYBCTCPZAGASA-IUINDACWSA-N
Molecular Weight 336.472 g/mol
SMILES C(CC(=O)C)C1(C(CCC1)=O)C(=O)O[C@]1([C@@](CC[C@](C1)(C)[H])(C(C)C)[H])[H]