SpectraBase Spectrum ID |
Dw8jrldqo9D |
Name |
Methanol, [4-(1,1-dimethylethyl)phenoxy]-, acetate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
222.125594437 u |
Formula |
C13H18O3 |
InChI |
InChI=1S/C13H18O3/c1-10(14)15-9-16-12-7-5-11(6-8-12)13(2,3)4/h5-8H,9H2,1-4H3 |
InChIKey |
SAUOVKUFPXZKPY-UHFFFAOYSA-N |
Molecular Weight |
222.284 g/mol |
SMILES |
CC(C)(C)C1=CC=C(C=C1)OCOC(C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965716 |