For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Methyl 3-(N-heptafluorobutyrylamino)benzoate

View entire compound with spectra: 1 NMR, and 1 FTIR

Methyl 3-(N-heptafluorobutyrylamino)benzoate
SpectraBase Compound ID IpGgNmnDaHb
InChI InChI=1S/C12H8F7NO3/c1-23-8(21)6-3-2-4-7(5-6)20-9(22)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3,(H,20,22)
InChIKey NOWAMQPJXNBYAL-UHFFFAOYSA-N
Mol Weight 347.19 g/mol
Molecular Formula C12H8F7NO3
Exact Mass 347.03924 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6Q8GOf6TzmT
Name Methyl 3-(N-heptafluorobutyrylamino)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.039240260 u
Formula C12H8F7NO3
InChI InChI=1S/C12H8F7NO3/c1-23-8(21)6-3-2-4-7(5-6)20-9(22)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3,(H,20,22)
InChIKey NOWAMQPJXNBYAL-UHFFFAOYSA-N
Molecular Weight 347.189 g/mol
SMILES C1(=CC(=CC=C1)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.930859