SpectraBase Spectrum ID |
8mbVucRBgSG |
Name |
Ofloxacyn - gc - artefact |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
317.153955057 u |
Formula |
C17H20FN3O2 |
InChI |
InChI=1S/C17H20FN3O2/c1-11-10-23-17-15-12(14(22)3-4-21(11)15)9-13(18)16(17)20-7-5-19(2)6-8-20/h3-4,9,11H,5-8,10H2,1-2H3 |
InChIKey |
XTLCAWXSWVQNHK-UHFFFAOYSA-N |
Molecular Weight |
317.364 g/mol |
SMILES |
C12=C3C(N4CCN(CC4)C)=C(C=C1C(=O)C=CN2C(CO3)C)F |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927037 |