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2C-tfe N-Cyclopropylmethyl

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

2C-tfe N-Cyclopropylmethyl
SpectraBase Compound ID DR4IkZxkK7
InChI InChI=1S/C16H22F3NO2/c1-21-14-8-13(9-16(17,18)19)15(22-2)7-12(14)5-6-20-10-11-3-4-11/h7-8,11,20H,3-6,9-10H2,1-2H3
InChIKey BNSMVXBRQMYTQM-UHFFFAOYSA-N
Mol Weight 317.35 g/mol
Molecular Formula C16H22F3NO2
Exact Mass 317.160263 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1gXIdTacPiK
Name 2C-tfe N-Cyclopropylmethyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.160263439 u
Formula C16H22F3NO2
InChI InChI=1S/C16H22F3NO2/c1-21-14-8-13(9-16(17,18)19)15(22-2)7-12(14)5-6-20-10-11-3-4-11/h7-8,11,20H,3-6,9-10H2,1-2H3
InChIKey BNSMVXBRQMYTQM-UHFFFAOYSA-N
Molecular Weight 317.352 g/mol
SMILES C1(=C(C=C(C(=C1)CCNCC1CC1)OC)CC(F)(F)F)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.827546