SpectraBase Spectrum ID |
JqCIUqlR61t |
Name |
3,4-Dihydro-2-[2-(dimethylamino)ethyl]-1(2H)-naphthalenone, hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.107691903 u |
Formula |
C13H18ClNO |
InChI |
InChI=1S/C13H17NO.ClH/c1-14(2)9-11-8-7-10-5-3-4-6-12(10)13(11)15;/h3-6,11H,7-9H2,1-2H3;1H |
InChIKey |
KZZFWTKJICTRGU-UHFFFAOYSA-N |
Molecular Weight |
239.746 g/mol |
SMILES |
Cl.CN(C)CC1CCC2=C(C=CC=C2)C1=O |
Spectrum/Structure Validation Score (Raman) |
0.976022 |