SpectraBase Spectrum ID |
2cepegizKm5 |
Name |
Benzene, [1-methyl-1-(pentyloxy)ethyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
206.167065327 u |
Formula |
C14H22O |
InChI |
InChI=1S/C14H22O/c1-4-5-9-12-15-14(2,3)13-10-7-6-8-11-13/h6-8,10-11H,4-5,9,12H2,1-3H3 |
InChIKey |
PZNOBEDXUWJVMG-UHFFFAOYSA-N |
Molecular Weight |
206.329 g/mol |
SMILES |
C(OCCCCC)(C)(C)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955783 |