| SpectraBase Spectrum ID |
GXHwzNPggYV |
| Name |
1-Ethyl-1-allyl-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/c1-3-19-28(4-2)22-29(23-28,24-30-20-11-17-26-13-7-5-8-14-26)25-31-21-12-18-27-15-9-6-10-16-27/h3,5-10,13-16H,1,4,11-12,17-25H2,2H3 |
| InChIKey |
KCBULKQNYZKWNU-UHFFFAOYSA-N |
| Molecular Weight |
420.637 g/mol |
| SMILES |
C1(CC(C1)(CC=C)CC)(COCCCC=1C=CC=CC1)COCCCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.963281 |
