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Methyl (2E,4R)-4-{[(1R,2R)-2-Hydroxycyclohexyl]oxy}-4-phenylbut-2-enoate
SpectraBase Compound ID 9biGn1k4IAQ
InChI InChI=1S/C17H22O4/c1-20-17(19)12-11-15(13-7-3-2-4-8-13)21-16-10-6-5-9-14(16)18/h2-4,7-8,11-12,14-16,18H,5-6,9-10H2,1H3/b12-11+/t14-,15-,16-/m1/s1
InChIKey NQMDYLCIMJZFFG-DJVMPUSXSA-N
Mol Weight 290.36 g/mol
Molecular Formula C17H22O4
Exact Mass 290.151809 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AINfa7xUmzk
Name Methyl (2E,4R)-4-{[(1R,2R)-2-Hydroxycyclohexyl]oxy}-4-phenylbut-2-enoate
Alternate Name(s) Methyl (2E,4R)-4-{[(1R,2R)-2-hydroxycyclohexyl]oxy}-4-phenyl-2-butenoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H22O4
InChI InChI=1S/C17H22O4/c1-20-17(19)12-11-15(13-7-3-2-4-8-13)21-16-10-6-5-9-14(16)18/h2-4,7-8,11-12,14-16,18H,5-6,9-10H2,1H3/b12-11+/t14-,15-,16-/m1/s1
InChIKey NQMDYLCIMJZFFG-DJVMPUSXSA-N
Molecular Weight 290.359 g/mol
SMILES O[C@]1([C@](O[C@](\C=C\C(=O)OC)(c2ccccc2)[H])(CCCC1)[H])[H]
SPLASH splash10-016r-0900000000-ee4344ffdcb3e403d097
Source of Spectrum KD-14-1099-4
Wiley ID 1636036