SpectraBase Spectrum ID |
Ba8LZbC1paA |
Name |
3-Methyl-2-(4,4-dimethyl-2-oxazolin-2-yl)-3-buten-2-ol |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
183.125928789 u |
Formula |
C10H17NO2 |
InChI |
InChI=1S/C10H17NO2/c1-7(2)10(5,12)8-11-9(3,4)6-13-8/h12H,1,6H2,2-5H3 |
InChIKey |
XSOYLIQMHPMQBS-UHFFFAOYSA-N |
Molecular Weight |
183.251 g/mol |
SMILES |
CC(C(=C)C)(O)C=1OCC(N1)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979041 |