| SpectraBase Spectrum ID |
1fzKfWPZh60 |
| Name |
Tert-butyl N-methyl-N-(1-tosyl-3-butenyl)carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
339.150429459 u |
| Formula |
C17H25NO4S |
| InChI |
InChI=1S/C17H25NO4S/c1-7-8-15(18(6)16(19)22-17(3,4)5)23(20,21)14-11-9-13(2)10-12-14/h7,9-12,15H,1,8H2,2-6H3 |
| InChIKey |
MBHMRAZUSDZEBE-UHFFFAOYSA-N |
| Molecular Weight |
339.450 g/mol |
| SMILES |
C(S(C1=CC=C(C=C1)C)(=O)=O)(N(C(OC(C)(C)C)=O)C)CC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.937472 |
