| SpectraBase Compound ID | Y46UODp2c1 |
|---|---|
| InChI | InChI=1S/C6H14S/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3 |
| InChIKey | NTRKGRUMBHBCAM-UHFFFAOYSA-N |
| Mol Weight | 118.24 g/mol |
| Molecular Formula | C6H14S |
| Exact Mass | 118.081622 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3hVmsCoq9Gz |
|---|---|
| Name | 3-Pentanethiol, 2-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 118.081621625 u |
| Formula | C6H14S |
| InChI | InChI=1S/C6H14S/c1-4-6(7)5(2)3/h5-7H,4H2,1-3H3 |
| InChIKey | NTRKGRUMBHBCAM-UHFFFAOYSA-N |
| Molecular Weight | 118.238 g/mol |
| SMILES | C(C(CC)S)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964666 |