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trans-4-(4-Fluorobenzamidomethyl)cyclohexanecarboxylic acid
SpectraBase Compound ID EAC0jbXtWZU
InChI InChI=1S/C15H18FNO3/c16-13-7-5-11(6-8-13)14(18)17-9-10-1-3-12(4-2-10)15(19)20/h5-8,10,12H,1-4,9H2,(H,17,18)(H,19,20)/t10-,12-
InChIKey FBWZOCYBUUDNEO-UMSPYCQHSA-N
Mol Weight 279.31 g/mol
Molecular Formula C15H18FNO3
Exact Mass 279.127072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID It33MbEmbAT
Name trans-4-(4-Fluorobenzamidomethyl)cyclohexanecarboxylic acid
Appearance White solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18FNO3
InChI InChI=1S/C15H18FNO3/c16-13-7-5-11(6-8-13)14(18)17-9-10-1-3-12(4-2-10)15(19)20/h5-8,10,12H,1-4,9H2,(H,17,18)(H,19,20)/t10-,12-
InChIKey FBWZOCYBUUDNEO-UMSPYCQHSA-N
Instrument Name Finnigan SSQ 710A
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.6b00467
Molecular Weight 279.311 g/mol
SMILES N(C(c1ccc(F)cc1)=O)C[C@]1(CC[C@](C(=O)O)(CC1)[H])[H]
SPLASH splash10-00di-0900000000-37ef30c253fda8aa0833
Source of Spectrum MCS-8-SM18-47
Wiley ID 1870698