| SpectraBase Spectrum ID |
3x3aSF2CmHx |
| Name |
tert-butyl (2,2-dimethyl-5-(4-octylphenethyl)-1,3-dioxan-5-yl)carbamate |
| Appearance |
Beige solid |
| Copyright |
Copyright © 2020-2025 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 |
| Instrument Name |
Finnigan MAT95Q or Finnigan MAT90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202203807 |
| Molecular Weight |
447.660 g/mol |
| Quality |
214 |
| Reported Formula |
C27H45NO4 |
| SMILES |
N(C(OC(C)(C)C)=O)C1(COC(OC1)(C)C)CCC1=CC=C(C=C1)CCCCCCCC |
| SPLASH |
splash10-066r-4491000000-18b91de15161f99964d4 |
| Source of Spectrum |
ACI-61-SM116-24 (DOI: 10.1002/anie.202203807) |
| Wiley ID |
1897845 |
![N-[2,2-dimethyl-5-[2-(4-octylphenyl)ethyl]-1,3-dioxan-5-yl]carbamic acid tert-butyl ester](/api/spectrum/3x3aSF2CmHx/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")
