SpectraBase Spectrum ID |
CTAkDmRfDR1 |
Name |
1,2-bis[p-Methoxymethoxy)phenyl]-3,3-diphenylcyclopent-5(1)-ene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
492.230059506 u |
Formula |
C33H32O4 |
InChI |
InChI=1S/C33H32O4/c1-34-23-36-29-17-13-25(14-18-29)31-21-22-33(27-9-5-3-6-10-27,28-11-7-4-8-12-28)32(31)26-15-19-30(20-16-26)37-24-35-2/h3-21,32H,22-24H2,1-2H3 |
InChIKey |
RRFVTUNSFPIYHT-UHFFFAOYSA-N |
Molecular Weight |
492.615 g/mol |
SMILES |
C1(C(=CCC1(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=C(C=C1)OCOC)C=1C=CC(OCOC)=CC1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.849062 |