SpectraBase Spectrum ID |
7BYyWYJ9GjF |
Name |
Dihydro-ppp hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
241.123341967 u |
Formula |
C13H20ClNO |
InChI |
InChI=1S/C13H19NO.ClH/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12;/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3;1H |
InChIKey |
PMKBLGNPWCWAAH-UHFFFAOYSA-N |
Molecular Weight |
241.762 g/mol |
SMILES |
Cl.OC(C1=CC=CC=C1)C(C)N1CCCC1 |
Spectrum/Structure Validation Score (Raman) |
0.984817 |