| SpectraBase Compound ID | K70UORvzG0M |
|---|---|
| InChI | InChI=1S/C13H17NO3S/c1-12(2)8-17-13(3,18-9-12)10-4-6-11(7-5-10)14(15)16/h4-7H,8-9H2,1-3H3 |
| InChIKey | LIPYRRMZVJEVAI-UHFFFAOYSA-N |
| Mol Weight | 267.34 g/mol |
| Molecular Formula | C13H17NO3S |
| Exact Mass | 267.092915 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | I9g6G5y4ROl |
|---|---|
| Name | 2,5,5-trimethyl-2-(4-nitrophenyl)-1,3-oxathiane |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H17NO3S |
| InChI | InChI=1S/C13H17NO3S/c1-12(2)8-17-13(3,18-9-12)10-4-6-11(7-5-10)14(15)16/h4-7H,8-9H2,1-3H3 |
| InChIKey | LIPYRRMZVJEVAI-UHFFFAOYSA-N |
| Molecular Weight | 267.343 g/mol |
| SMILES | C1(OCC(CS1)(C)C)(C)c1ccc(cc1)N(=O)=O |
| SPLASH | splash10-0ldi-9320000000-8e7777d89d7be25eabd6 |
| Source of Spectrum | AH-135-95-9 |
| Wiley ID | 1576327 |