SpectraBase Spectrum ID |
5m9FpJxtTMb |
Name |
1-(4,4-Dimethyl-2-oxazolin-2-yl)-3-methyl-1-phenylbutan-1-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.172878983 u |
Formula |
C16H23NO2 |
InChI |
InChI=1S/C16H23NO2/c1-12(2)10-16(18,13-8-6-5-7-9-13)14-17-15(3,4)11-19-14/h5-9,12,18H,10-11H2,1-4H3 |
InChIKey |
DMDYAHSFRGGAJD-UHFFFAOYSA-N |
Molecular Weight |
261.365 g/mol |
SMILES |
C1(=NC(C)(C)CO1)C(CC(C)C)(C1=CC=CC=C1)O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981452 |