| SpectraBase Spectrum ID |
GqKgwW1LALC |
| Name |
Benzene, 2-(1-decylundecyl)-1,4-dimethyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.406901674 u |
| Formula |
C29H52 |
| InChI |
InChI=1S/C29H52/c1-5-7-9-11-13-15-17-19-21-28(29-25-26(3)23-24-27(29)4)22-20-18-16-14-12-10-8-6-2/h23-25,28H,5-22H2,1-4H3 |
| InChIKey |
XDZKZNNMWLIULQ-UHFFFAOYSA-N |
| Molecular Weight |
400.735 g/mol |
| SMILES |
C(C(CCCCCCCCCC)C1=C(C)C=CC(=C1)C)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895887 |
