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2,3-Ebdb P1296

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

2,3-Ebdb P1296
SpectraBase Compound ID IPAZvlplbkq
InChI InChI=1S/C16H18F5NO3/c1-3-11(8-10-6-5-7-12-13(10)25-9-24-12)22(4-2)14(23)15(17,18)16(19,20)21/h5-7,11H,3-4,8-9H2,1-2H3
InChIKey RRGVAOGGOPXWPX-UHFFFAOYSA-N
Mol Weight 367.32 g/mol
Molecular Formula C16H18F5NO3
Exact Mass 367.120684 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7yWVUN52SmS
Name 2,3-Ebdb P1296
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.120684256 u
Formula C16H18F5NO3
InChI InChI=1S/C16H18F5NO3/c1-3-11(8-10-6-5-7-12-13(10)25-9-24-12)22(4-2)14(23)15(17,18)16(19,20)21/h5-7,11H,3-4,8-9H2,1-2H3
InChIKey RRGVAOGGOPXWPX-UHFFFAOYSA-N
Molecular Weight 367.316 g/mol
SMILES C(C(N(C(CC1=C2OCOC2=CC=C1)CC)CC)=O)(C(F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.804318