| SpectraBase Compound ID | D0htrlEFMfn |
|---|---|
| InChI | InChI=1S/C8H15NOS/c1-2-6-11-8(7-10)4-3-5-9/h8,10H,2-4,6-7H2,1H3 |
| InChIKey | MTAWWWYDBGGMFN-UHFFFAOYSA-N |
| Mol Weight | 173.27 g/mol |
| Molecular Formula | C8H15NOS |
| Exact Mass | 173.087435 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 | D2fDxabzvpg |
|---|---|
| Name | Pentanenitrile, 5-hydroxy-4-(propylthio)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.087435280 u |
| Formula | C8H15NOS |
| InChI | InChI=1S/C8H15NOS/c1-2-6-11-8(7-10)4-3-5-9/h8,10H,2-4,6-7H2,1H3 |
| InChIKey | MTAWWWYDBGGMFN-UHFFFAOYSA-N |
| Molecular Weight | 173.274 g/mol |
| SMILES | C(#N)CCC(SCCC)CO |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939992 |