SpectraBase Spectrum ID |
JAbVuiU3jxF |
Name |
alpha Square-piperidino-4-ethyl-2,5-xylenol, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
269.154642096 u |
Formula |
C15H24ClNO |
InChI |
InChI=1S/C15H23NO.ClH/c1-3-13-10-14(15(17)9-12(13)2)11-16-7-5-4-6-8-16;/h9-10,17H,3-8,11H2,1-2H3;1H |
InChIKey |
PMAZFKYRAVBTLH-UHFFFAOYSA-N |
Molecular Weight |
269.816 g/mol |
SMILES |
Cl.OC1=C(C=C(CC)C(=C1)C)CN1CCCCC1 |
Spectrum/Structure Validation Score (Raman) |
0.966565 |