| SpectraBase Compound ID | 2E5YQ0xdQqi |
|---|---|
| InChI | InChI=1S/C9H16OS/c1-11-9(8-10)6-4-2-3-5-7-9/h8H,2-7H2,1H3 |
| InChIKey | CNMNPDWWAPJXOI-UHFFFAOYSA-N |
| Mol Weight | 172.29 g/mol |
| Molecular Formula | C9H16OS |
| Exact Mass | 172.092186 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2tR438N6OxX |
|---|---|
| Name | 1-(Methylthio)cycloheptanecarbaldehyde |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H16OS |
| InChI | InChI=1S/C9H16OS/c1-11-9(8-10)6-4-2-3-5-7-9/h8H,2-7H2,1H3 |
| InChIKey | CNMNPDWWAPJXOI-UHFFFAOYSA-N |
| Molecular Weight | 172.286 g/mol |
| SMILES | C1(C=O)(SC)CCCCCC1 |
| SPLASH | splash10-0006-0900000000-d6c5ff44d2d18031e2a8 |
| Source of Spectrum | F-67-2311-0 |
| Wiley ID | 1686018 |