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3-((1R,5R)-5-tert-Butyl-2-oxo-cyclohexyl)-propionic acid methyl ester
SpectraBase Compound ID H7cyLRloqna
InChI InChI=1S/C14H24O3/c1-14(2,3)11-6-7-12(15)10(9-11)5-8-13(16)17-4/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKey FYSIDDQADQCUSN-GHMZBOCLSA-N
Mol Weight 240.34 g/mol
Molecular Formula C14H24O3
Exact Mass 240.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Es2Zazf4Qv5
Name 3-((1R,5R)-5-tert-Butyl-2-oxo-cyclohexyl)-propionic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H24O3
InChI InChI=1S/C14H24O3/c1-14(2,3)11-6-7-12(15)10(9-11)5-8-13(16)17-4/h10-11H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKey FYSIDDQADQCUSN-GHMZBOCLSA-N
Molecular Weight 240.343 g/mol
SMILES C1([C@@](C[C@@](CC1)(C(C)(C)C)[H])(CCC(=O)OC)[H])=O
SPLASH splash10-0a4i-4390000000-5de744b7fa6a0a1f7a15
Source of Spectrum C5-2005-237-3
Synonyms (2R*,3R*)-4-tert-Butyl-2-(3-methoxy-3-oxopropyl)cyclohexanone Methyl 3-[(1R,5R)-5-tert-butyl-2-oxocyclohexyl]propanoate
Wiley ID 1617960