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Methyl cis-3-[(E)-20-(4-Fluorophenyl)-2-(1-hexynyl)ethenyl]-2,2-dimethylcyclopropanecarboxylate
SpectraBase Compound ID 2FzHpfsD6ne
InChI InChI=1S/C21H25FO2/c1-5-6-7-8-9-16(15-10-12-17(22)13-11-15)14-18-19(20(23)24-4)21(18,2)3/h10-14,18-19H,5-7H2,1-4H3/b16-14-/t18-,19-/m1/s1
InChIKey FAAYPVNUJXOKSW-ZHQMRIERSA-N
Mol Weight 328.43 g/mol
Molecular Formula C21H25FO2
Exact Mass 328.183858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID PXXEfxzV6z
Name Methyl cis-3-[(E)-20-(4-Fluorophenyl)-2-(1-hexynyl)ethenyl]-2,2-dimethylcyclopropanecarboxylate
Alternate Name(s) Methyl (1S,3R)-3-[(1E)-2-(4-fluorophenyl)-1-octen-3-ynyl]-2,2-dimethylcyclopropanecarboxylate
CAS Registry Number 133472-25-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H25FO2
InChI InChI=1S/C21H25FO2/c1-5-6-7-8-9-16(15-10-12-17(22)13-11-15)14-18-19(20(23)24-4)21(18,2)3/h10-14,18-19H,5-7H2,1-4H3/b16-14-/t18-,19-/m1/s1
InChIKey FAAYPVNUJXOKSW-ZHQMRIERSA-N
Molecular Weight 328.427 g/mol
SMILES C1([C@](\C=C\(C#CCCCC)c2ccc(cc2)F)([C@@]1(C(=O)OC)[H])[H])(C)C
SPLASH splash10-03xs-0292000000-c1689a84feca56bac5aa
Source of Spectrum J-56-4055-17
Wiley ID 1326646