SpectraBase Spectrum ID |
9CH365TBad8 |
Name |
5-Apdi pent |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
259.193614428 u |
Formula |
C17H25NO |
InChI |
InChI=1S/C17H25NO/c1-3-4-8-17(19)18-13(2)11-14-9-10-15-6-5-7-16(15)12-14/h9-10,12-13H,3-8,11H2,1-2H3,(H,18,19) |
InChIKey |
KTJZDDGUPJHULV-UHFFFAOYSA-N |
Molecular Weight |
259.393 g/mol |
SMILES |
C1=2C(=CC(CC(NC(CCCC)=O)C)=CC2)CCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911585 |