SpectraBase Spectrum ID |
5CqwcrEdasT |
Name |
Benzene, 1,1'-(1-cyclopropene-1,2-diyl)bis[4-methoxy- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
252.115029753 u |
Formula |
C17H16O2 |
InChI |
InChI=1S/C17H16O2/c1-18-14-7-3-12(4-8-14)16-11-17(16)13-5-9-15(19-2)10-6-13/h3-10H,11H2,1-2H3 |
InChIKey |
KTYQKLPRUMCWSB-UHFFFAOYSA-N |
Molecular Weight |
252.313 g/mol |
SMILES |
COC1=CC=C(C=C1)C1=C(C2=CC=C(C=C2)OC)C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955566 |