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(1R*,2R*,5R*)-sec-butyl 5-methoxy-2-methylcyclohexanecarboxylate
SpectraBase Compound ID GMtbFDFejr2
InChI InChI=1S/C13H24O3/c1-5-10(3)16-13(14)12-8-11(15-4)7-6-9(12)2/h9-12H,5-8H2,1-4H3/t9-,10?,11-,12-/m1/s1
InChIKey FARMNSHPGFPQJX-DBPBRPCRSA-N
Mol Weight 228.33 g/mol
Molecular Formula C13H24O3
Exact Mass 228.172545 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A5dON1y9S84
Name (1R*,2R*,5R*)-sec-butyl 5-methoxy-2-methylcyclohexanecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O3
InChI InChI=1S/C13H24O3/c1-5-10(3)16-13(14)12-8-11(15-4)7-6-9(12)2/h9-12H,5-8H2,1-4H3/t9-,10?,11-,12-/m1/s1
InChIKey FARMNSHPGFPQJX-DBPBRPCRSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Molecular Weight 228.332 g/mol
SMILES [C@]1([C@@](CC[C@](C1)(OC)[H])(C)[H])(C(=O)OC(CC)C)[H]
SPLASH splash10-0002-9300000000-a42c0de3cdaf137bfd59
Sample Comments Mixture of diastereomers
Source of Spectrum US10343974B1
Wiley ID 1875003