| SpectraBase Spectrum ID |
JtLCLYsYrxY |
| Name |
3,5,5-Trimethylhexanamide, N-(2-phenylethyl)-N-dodecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
429.397065265 u |
| Formula |
C29H51NO |
| InChI |
InChI=1S/C29H51NO/c1-6-7-8-9-10-11-12-13-14-18-22-30(23-21-27-19-16-15-17-20-27)28(31)24-26(2)25-29(3,4)5/h15-17,19-20,26H,6-14,18,21-25H2,1-5H3 |
| InChIKey |
VRFMGUACVPBXQS-UHFFFAOYSA-N |
| Molecular Weight |
429.733 g/mol |
| SMILES |
C(CC(CC(N(CCCCCCCCCCCC)CCC1=CC=CC=C1)=O)C)(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.847471 |
