| SpectraBase Spectrum ID |
FLhWbMmmiRs |
| Name |
1-Cyclopentyl-3,3-bis(3-phenylpropoxymethyl)cyclobutane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
420.302830526 u |
| Formula |
C29H40O2 |
| InChI |
InChI=1S/C29H40O2/c1-3-11-25(12-4-1)15-9-19-30-23-29(21-28(22-29)27-17-7-8-18-27)24-31-20-10-16-26-13-5-2-6-14-26/h1-6,11-14,27-28H,7-10,15-24H2 |
| InChIKey |
GFWYVTSKQHKUEJ-UHFFFAOYSA-N |
| Molecular Weight |
420.637 g/mol |
| SMILES |
C1(CC(C1)C1CCCC1)(COCCCC1=CC=CC=C1)COCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.859482 |
