| SpectraBase Spectrum ID |
3tBi6RWEMKI |
| Name |
T-Butyl {2-(p-methoxyphenyl)-1-[(4'-methylphenyl)sulfonyl]ethyl-carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.160994142 u |
| Formula |
C21H27NO5S |
| InChI |
InChI=1S/C21H27NO5S/c1-15-6-12-18(13-7-15)28(24,25)19(22-20(23)27-21(2,3)4)14-16-8-10-17(26-5)11-9-16/h6-13,19H,14H2,1-5H3,(H,22,23) |
| InChIKey |
NVMLADKCHCGNFM-UHFFFAOYSA-N |
| Molecular Weight |
405.509 g/mol |
| SMILES |
C(S(C=1C=CC(=CC1)C)(=O)=O)(NC(OC(C)(C)C)=O)CC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925365 |
![t-Butyl {2-(p-methoxyphenyl)-1-[(4'-methylphenyl)sulfonyl]ethyl-carbamate](/api/spectrum/3tBi6RWEMKI/structure.png?h=300&w=458 "t-Butyl {2-(p-methoxyphenyl)-1-[(4'-methylphenyl)sulfonyl]ethyl-carbamate")
