| SpectraBase Spectrum ID |
A4ts4s3JY7S |
| Name |
N-[2,2-Dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-yl]carbamic acid tert-butyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.334858929 u |
| Formula |
C27H45NO4 |
| InChI |
InChI=1S/C27H45NO4/c1-7-8-9-10-11-12-13-22-14-16-23(17-15-22)18-19-27(20-30-26(5,6)31-21-27)28-24(29)32-25(2,3)4/h14-17H,7-13,18-21H2,1-6H3,(H,28,29) |
| InChIKey |
JAUSXTZNXDTLMT-UHFFFAOYSA-N |
| Molecular Weight |
447.660 g/mol |
| SMILES |
C(NC1(COC(OC1)(C)C)CCC=1C=CC(=CC1)CCCCCCCC)(OC(C)(C)C)=O |
![N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-yl]carbamic acid tert-butyl ester](/api/spectrum/A4ts4s3JY7S/structure.png?h=300&w=458 "N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-yl]carbamic acid tert-butyl ester")
