SpectraBase Spectrum ID |
945RsNee8Fv |
Name |
Benzene, 1,1'-[1,5-pentanediylbis(oxy)]bis- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.146329882 u |
Formula |
C17H20O2 |
InChI |
InChI=1S/C17H20O2/c1-4-10-16(11-5-1)18-14-8-3-9-15-19-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2 |
InChIKey |
PMRSVBNDSJTASL-UHFFFAOYSA-N |
Molecular Weight |
256.345 g/mol |
SMILES |
C1=C(C=CC=C1)OCCCCCOC1=CC=CC=C1 |
Spectrum/Structure Validation Score (Raman) |
0.996566 |