SpectraBase Spectrum ID |
B5295ycnitb |
Name |
Phenol, m-(1-methyl-3-propyl-3-pyrrolidinyl)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
219.162314299 u |
Formula |
C14H21NO |
InChI |
InChI=1S/C14H21NO/c1-3-7-14(8-9-15(2)11-14)12-5-4-6-13(16)10-12/h4-6,10,16H,3,7-9,11H2,1-2H3 |
InChIKey |
VFUGCQKESINERB-UHFFFAOYSA-N |
Molecular Weight |
219.328 g/mol |
SMILES |
C1(CCN(C1)C)(CCC)C1=CC(=CC=C1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916438 |