SpectraBase Spectrum ID |
HtwNramIZOd |
Name |
3-(Methoxymethoxy)-5-(phenylmethoxypentanal |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.136159120 u |
Formula |
C14H20O4 |
InChI |
InChI=1S/C14H20O4/c1-16-12-18-14(7-9-15)8-10-17-11-13-5-3-2-4-6-13/h2-6,9,14H,7-8,10-12H2,1H3 |
InChIKey |
AZUKLOZLTBBACD-UHFFFAOYSA-N |
Molecular Weight |
252.310 g/mol |
SMILES |
C(=O)CC(OCOC)CCOCC=1C=CC=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.926139 |