| SpectraBase Spectrum ID |
1hZjDC61XEX |
| Name |
Benzenemethanol, .alpha.,.alpha.-dimethyl-2-[(4-nitrophenyl)sulfinyl]- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.072179137 u |
| Formula |
C15H15NO4S |
| InChI |
InChI=1S/C15H15NO4S/c1-15(2,17)13-10-11(16(18)19)8-9-14(13)21(20)12-6-4-3-5-7-12/h3-10,17H,1-2H3 |
| InChIKey |
UYUMRRKHGHOXDL-UHFFFAOYSA-N |
| Molecular Weight |
305.348 g/mol |
| SMILES |
C=1(C(S(=O)C2=CC=CC=C2)=CC=C(N(=O)=O)C1)C(O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836025 |
![Benzenemethanol, .alpha.,.alpha.-dimethyl-2-[(4-nitrophenyl)sulfinyl]-](/api/spectrum/1hZjDC61XEX/structure.png?h=300&w=458 "Benzenemethanol, .alpha.,.alpha.-dimethyl-2-[(4-nitrophenyl)sulfinyl]-")
