| SpectraBase Spectrum ID |
Cb4c49rc3sV |
| Name |
2,5-Cyclohexadiene-1,4-dione, 5-(butylamino)-2-hydroxy-3-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
349.261693988 u |
| Formula |
C21H35NO3 |
| InChI |
InChI=1S/C21H35NO3/c1-3-5-7-8-9-10-11-12-13-14-17-20(24)18(22-15-6-4-2)16-19(23)21(17)25/h16,22,25H,3-15H2,1-2H3 |
| InChIKey |
HTIPVHNTEDTOCS-UHFFFAOYSA-N |
| Molecular Weight |
349.515 g/mol |
| SMILES |
C1(=C(C(=O)C=C(C1=O)NCCCC)O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.938977 |
