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(1S,3S)-1,3-Dicyclohexyl-1-hydroxy-3-p-tolylpropylcarboxylate
SpectraBase Compound ID VRSS6ftkA6
InChI InChI=1S/C23H34O3/c1-17-12-14-20(15-13-17)23(25)26-22(19-10-6-3-7-11-19)16-21(24)18-8-4-2-5-9-18/h12-15,18-19,21-22,24H,2-11,16H2,1H3/t21-,22-/m0/s1
InChIKey MBFITVWJXZEHRW-VXKWHMMOSA-N
Mol Weight 358.5 g/mol
Molecular Formula C23H34O3
Exact Mass 358.250795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3l7zMmfMSmZ
Name (1S,3S)-1,3-Dicyclohexyl-1-hydroxy-3-p-tolylpropylcarboxylate
Alternate Name(s) (1S,3S)-!-Cyclohexyl-3-hydroxy-3-p-tolylpropylcyclohexanecarboxylate (1S,3S)-1,3-dicyclohexyl-3-hydroxypropyl 4-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34O3
InChI InChI=1S/C23H34O3/c1-17-12-14-20(15-13-17)23(25)26-22(19-10-6-3-7-11-19)16-21(24)18-8-4-2-5-9-18/h12-15,18-19,21-22,24H,2-11,16H2,1H3/t21-,22-/m0/s1
InChIKey MBFITVWJXZEHRW-VXKWHMMOSA-N
Molecular Weight 358.522 g/mol
SMILES O[C@@](C[C@](OC(c1ccc(cc1)C)=O)(C1CCCCC1)[H])(C1CCCCC1)[H]
SPLASH splash10-0006-9201000000-13ed1072984ca21d1d36
Source of Spectrum QC-17-2741-6
Wiley ID 1638536