SpectraBase Spectrum ID |
LSeI3QktJg6 |
Name |
2-Butoxy-7-decyloxy-fluoren-9-one |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
408.266445016 u |
Formula |
C27H36O3 |
InChI |
InChI=1S/C27H36O3/c1-3-5-7-8-9-10-11-12-18-30-22-14-16-24-23-15-13-21(29-17-6-4-2)19-25(23)27(28)26(24)20-22/h13-16,19-20H,3-12,17-18H2,1-2H3 |
InChIKey |
KVMXPFLMORMVCC-UHFFFAOYSA-N |
Molecular Weight |
408.582 g/mol |
SMILES |
C1=2C(C3=CC(OCCCCCCCCCC)=CC=C3C2C=CC(=C1)OCCCC)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.888504 |