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3-Pentenoic acid, 2,4-dimethyl-, (4-fluorophenyl)methyl ester, (S)-
SpectraBase Compound ID HDF0pQoWXF3
InChI InChI=1S/C14H17FO2/c1-10(2)8-11(3)14(16)17-9-12-4-6-13(15)7-5-12/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKey ILAGHFWBBNGYFC-NSHDSACASA-N
Mol Weight 236.29 g/mol
Molecular Formula C14H17FO2
Exact Mass 236.121258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HqLxN7vDgyj
Name 3-Pentenoic acid, 2,4-dimethyl-, (4-fluorophenyl)methyl ester, (S)-
Alternate Name(s) 4-Fluorobenzyl (2S)-2,4-dimethyl-3-pentenoate p-fluorobenzyl 2,4-dimethyl-3-pentenoate
CAS Registry Number 125427-61-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17FO2
InChI InChI=1S/C14H17FO2/c1-10(2)8-11(3)14(16)17-9-12-4-6-13(15)7-5-12/h4-8,11H,9H2,1-3H3/t11-/m0/s1
InChIKey ILAGHFWBBNGYFC-NSHDSACASA-N
Molecular Weight 236.286 g/mol
SMILES C([C@](C=C(C)C)(C)[H])(OCc1ccc(cc1)F)=O
SPLASH splash10-0a4i-7900000000-a0ba462ed14b03636ee9
Source of Spectrum F-45-6190-23
Wiley ID 1238271