| SpectraBase Spectrum ID |
9vUgF3l3sq |
| Name |
(R)-(2-Tert-butyl-6-methyl-4-oxohept-1-yl)phenylsulfone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.175915933 u |
| Formula |
C18H28O3S |
| InChI |
InChI=1S/C18H28O3S/c1-14(2)11-16(19)12-15(18(3,4)5)13-22(20,21)17-9-7-6-8-10-17/h6-10,14-15H,11-13H2,1-5H3/t15-/m0/s1 |
| InChIKey |
TXOHVZWUAGTRMG-HNNXBMFYSA-N |
| Molecular Weight |
324.479 g/mol |
| SMILES |
C(S(=O)(=O)C1=CC=CC=C1)[C@@](C(C)(C)C)(CC(=O)CC(C)C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899132 |
