SpectraBase Spectrum ID |
olJlYC8Rgb |
Name |
2-[[(4-fluorophenyl)amino]methyl]phenol, N,o-bis-acetyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
301.111421539 u |
Formula |
C17H16FNO3 |
InChI |
InChI=1S/C17H16FNO3/c1-12(20)19(16-9-7-15(18)8-10-16)11-14-5-3-4-6-17(14)22-13(2)21/h3-10H,11H2,1-2H3 |
InChIKey |
BZMVHFXCSXLHCK-UHFFFAOYSA-N |
Molecular Weight |
301.317 g/mol |
SMILES |
C1(=C(C=CC=C1)CN(C(C)=O)C=1C=CC(F)=CC1)OC(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942084 |