SpectraBase Spectrum ID |
txPUyLyV3E |
Name |
1-Phenyl-2-(3-pyridinyl)-1-azaspiro[2.5]octane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
264.162648652 u |
Formula |
C18H20N2 |
InChI |
InChI=1S/C18H20N2/c1-3-9-16(10-4-1)20-17(15-8-7-13-19-14-15)18(20)11-5-2-6-12-18/h1,3-4,7-10,13-14,17H,2,5-6,11-12H2 |
InChIKey |
HIMFGEVFBWNGME-UHFFFAOYSA-N |
Molecular Weight |
264.372 g/mol |
SMILES |
C12(N(C2C2=CN=CC=C2)C=2C=CC=CC2)CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842404 |