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(S)-((R)-1-cyclohexenyl-3,3-dimethoxy-1-oxopropan-2-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
SpectraBase Compound ID DuR4jh92gYZ
InChI InChI=1S/C21H25F3O6/c1-27-18(28-2)17(16(25)14-10-6-4-7-11-14)30-19(26)20(29-3,21(22,23)24)15-12-8-5-9-13-15/h5,8-10,12-13,17-18H,4,6-7,11H2,1-3H3/t17-,20-/m0/s1
InChIKey NJBNNBNKCPSFOK-PXNSSMCTSA-N
Mol Weight 430.42 g/mol
Molecular Formula C21H25F3O6
Exact Mass 430.160323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AEtsRUxuXvR
Name (S)-((R)-1-cyclohexenyl-3,3-dimethoxy-1-oxopropan-2-yl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Alternate Name(s) (S)-(R)-1-(cyclohex-1-en-1-yl)-3,3-dimethoxy-1-oxopropan-2-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25F3O6
InChI InChI=1S/C21H25F3O6/c1-27-18(28-2)17(16(25)14-10-6-4-7-11-14)30-19(26)20(29-3,21(22,23)24)15-12-8-5-9-13-15/h5,8-10,12-13,17-18H,4,6-7,11H2,1-3H3/t17-,20-/m0/s1
InChIKey NJBNNBNKCPSFOK-PXNSSMCTSA-N
Literature Reference DOI 10.1002/adsc.200700550
Molecular Weight 430.420 g/mol
SMILES c1(ccccc1)[C@@](OC)(C(F)(F)F)C(=O)O[C@@](C(C1=CCCCC1)=O)(C(OC)OC)[H]
SPLASH splash10-0550-4900000000-6cb4e68e9c974f7f9390
Source of Spectrum ASC-350-759/SM13-13_2
Wiley ID 1766095