SpectraBase Spectrum ID |
D7DenuLjGrp |
Name |
4A-Piperidyl hexahydrobiphenylene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
241.183049745 u |
Formula |
C17H23N |
InChI |
InChI=1S/C17H23N/c1-6-12-18(13-7-1)17-11-5-4-10-16(17)14-8-2-3-9-15(14)17/h2-3,8-9,16H,1,4-7,10-13H2 |
InChIKey |
YSXPXBOBMSADAA-UHFFFAOYSA-N |
Molecular Weight |
241.378 g/mol |
SMILES |
C1=CC=C2C(=C1)C1(C2CCCC1)N1CCCCC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952795 |