| SpectraBase Spectrum ID |
L0MU5U1ExWd |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-undecyl-, menthyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.407629949 u |
| Formula |
C27H53NO2 |
| InChI |
InChI=1S/C27H53NO2/c1-7-9-10-11-12-13-14-15-16-20-28(24(6)17-8-2)27(29)30-26-21-23(5)18-19-25(26)22(3)4/h22-26H,7-21H2,1-6H3 |
| InChIKey |
IFQIRNNPKMKEPA-UHFFFAOYSA-N |
| Molecular Weight |
423.726 g/mol |
| SMILES |
CCCC(C)N(C(OC1CC(C)CCC1C(C)C)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94529 |
