SpectraBase Spectrum ID |
VvntYUNIUO |
Name |
8-Methyl -9-propyl-2H,3H,6H-[1,4]dioxino[2,3-G]quinolin-7-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.120843408 u |
Formula |
C15H17NO3 |
InChI |
InChI=1S/C15H17NO3/c1-3-4-10-9(2)15(17)16-12-8-14-13(7-11(10)12)18-5-6-19-14/h7-8H,3-6H2,1-2H3,(H,16,17) |
InChIKey |
GQBCQHFOKFVPMG-UHFFFAOYSA-N |
Molecular Weight |
259.305 g/mol |
SMILES |
CC1=C(C2=CC=3OCCOC3C=C2NC1=O)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971161 |