| SpectraBase Spectrum ID |
FxrzmTy9oKu |
| Name |
2-Methyl-1-phenylpropan-2-yl naphthalen-1-yl(phenylsulfonyl)methylcarbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.166079523 u |
| Formula |
C28H27NO4S |
| InChI |
InChI=1S/C28H27NO4S/c1-28(2,20-21-12-5-3-6-13-21)33-27(30)29-26(34(31,32)23-16-7-4-8-17-23)25-19-11-15-22-14-9-10-18-24(22)25/h3-19,26H,20H2,1-2H3,(H,29,30) |
| InChIKey |
XRCSAILXURESPW-UHFFFAOYSA-N |
| Molecular Weight |
473.587 g/mol |
| SMILES |
CC(C)(OC(NC(C=1C=CC=C2C1C=CC=C2)S(C1=CC=CC=C1)(=O)=O)=O)CC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.852292 |
