SpectraBase Spectrum ID |
Firu0sFcl8R |
Name |
Benzenepropanol, .gamma.-[(2-methoxyethoxy)methoxy]-.beta.-methyl-, (R*,S*)-(.+-.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
254.151809184 u |
Formula |
C14H22O4 |
InChI |
InChI=1S/C14H22O4/c1-12(10-15)14(13-6-4-3-5-7-13)18-11-17-9-8-16-2/h3-7,12,14-15H,8-11H2,1-2H3 |
InChIKey |
JJSYBHZCAHQBRR-UHFFFAOYSA-N |
Molecular Weight |
254.326 g/mol |
SMILES |
CC(CO)C(OCOCCOC)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.875721 |