SpectraBase Spectrum ID |
1OTBE9ScfR9 |
Name |
4-Methyl-α-pyrrolidinopropiophenone hydrochloride |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
253.123341967 u |
Formula |
C14H20ClNO |
InChI |
InChI=1S/C14H19NO.ClH/c1-11-5-7-13(8-6-11)14(16)12(2)15-9-3-4-10-15;/h5-8,12H,3-4,9-10H2,1-2H3;1H |
InChIKey |
MRWBETWZAYOULZ-UHFFFAOYSA-N |
Molecular Weight |
253.773 g/mol |
SMILES |
Cl.C1=C(C=CC(=C1)C(C(C)N1CCCC1)=O)C |
Spectrum/Structure Validation Score (Raman) |
0.979574 |