SpectraBase Spectrum ID |
2KMSx9HfX66 |
Name |
Benzocaine, N,N'-bis(N-propyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.172878983 u |
Formula |
C15H23NO2 |
InChI |
InChI=1S/C15H23NO2/c1-4-11-16(12-5-2)14-9-7-13(8-10-14)15(17)18-6-3/h7-10H,4-6,11-12H2,1-3H3 |
InChIKey |
HLRKMQXADQCHHR-UHFFFAOYSA-N |
Molecular Weight |
249.354 g/mol |
SMILES |
C1=C(C=CC(=C1)C(=O)OCC)N(CCC)CCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829405 |