| SpectraBase Compound ID | 7rIT8LNhm89 |
|---|---|
| InChI | InChI=1S/C4H6BrNS/c5-2-1-3-7-4-6/h1-3H2 |
| InChIKey | XWPCOGUJLVXESI-UHFFFAOYSA-N |
| Mol Weight | 180.06 g/mol |
| Molecular Formula | C4H6BrNS |
| Exact Mass | 178.940433 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 | LMZ21CKkwqz |
|---|---|
| Name | 1-Bromo-3-thiocyanatopropane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.940433371 u |
| Formula | C4H6BrNS |
| InChI | InChI=1S/C4H6BrNS/c5-2-1-3-7-4-6/h1-3H2 |
| InChIKey | XWPCOGUJLVXESI-UHFFFAOYSA-N |
| SMILES | C(Br)CCSC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.922715 |