| SpectraBase Compound ID | nz0PsVJL7s |
|---|---|
| InChI | InChI=1S/C12H21NOS/c1-9-7-6-8-10(11(13-9)15-5)14-12(2,3)4/h7,10H,6,8H2,1-5H3 |
| InChIKey | IXJRDGCHBAECMQ-UHFFFAOYSA-N |
| Mol Weight | 227.37 g/mol |
| Molecular Formula | C12H21NOS |
| Exact Mass | 227.134385 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | FUflUOWMCY5 |
|---|---|
| Name | 3-tert-Butoxy-7-methyl-2-(methylsulfanyl)-4,5-dihydro-3H-azepine |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H21NOS |
| InChI | InChI=1S/C12H21NOS/c1-9-7-6-8-10(11(13-9)15-5)14-12(2,3)4/h7,10H,6,8H2,1-5H3 |
| InChIKey | IXJRDGCHBAECMQ-UHFFFAOYSA-N |
| Molecular Weight | 227.366 g/mol |
| SMILES | C1(=NC(=CCCC1OC(C)(C)C)C)SC |
| SPLASH | splash10-052f-9300000000-b75907f6dfbb90b594b0 |
| Source of Spectrum | O1-45-297-3d |
| Wiley ID | 1669125 |