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1-benzenepropanoic acid, alpha~1~-(acetylamino)-alpha~1~-[(ethyloxidanyl)oxidanylidenemethyl]-4-fluoro-beta~1~-(nitromethyl)-, ethyl

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1-benzenepropanoic acid, alpha~1~-(acetylamino)-alpha~1~-[(ethyloxidanyl)oxidanylidenemethyl]-4-fluoro-beta~1~-(nitromethyl)-, ethyl
SpectraBase Compound ID KZW1RkP8YLU
InChI InChI=1S/C17H21FN2O7/c1-4-26-15(22)17(19-11(3)21,16(23)27-5-2)14(10-20(24)25)12-6-8-13(18)9-7-12/h6-9,14H,4-5,10H2,1-3H3,(H,19,21)
InChIKey FGWMSWYNCJOJNK-UHFFFAOYSA-N
Mol Weight 384.36 g/mol
Molecular Formula C17H21FN2O7
Exact Mass 384.133279 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G6pfkB5DNwc
Name 1-benzenepropanoic acid, alpha~1~-(acetylamino)-alpha~1~-[(ethyloxidanyl)oxidanylidenemethyl]-4-fluoro-beta~1~-(nitromethyl)-, ethyl
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.133279180 u
Formula C17H21FN2O7
InChI InChI=1S/C17H21FN2O7/c1-4-26-15(22)17(19-11(3)21,16(23)27-5-2)14(10-20(24)25)12-6-8-13(18)9-7-12/h6-9,14H,4-5,10H2,1-3H3,(H,19,21)
InChIKey FGWMSWYNCJOJNK-UHFFFAOYSA-N
Molecular Weight 384.360 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_11338
Solvent DMSO-d6
Source Vendor ID: NMR/10261315; Lab Info: PRO; Lab Number: PRO-0001664
Temperature 23.85 °C