| SpectraBase Compound ID | 2NHfqThkQSe |
|---|---|
| InChI | InChI=1S/C8H15ClO/c1-8(2,3)10-7-5-4-6-9/h4-5H,6-7H2,1-3H3/b5-4+ |
| InChIKey | ANBQMNMCWVIXDM-SNAWJCMRSA-N |
| Mol Weight | 162.66 g/mol |
| Molecular Formula | C8H15ClO |
| Exact Mass | 162.081143 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H6vEZown1Hr |
|---|---|
| Name | 1-Tert-butoxy-4-chlorobut-2-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 162.081142802 u |
| Formula | C8H15ClO |
| InChI | InChI=1S/C8H15ClO/c1-8(2,3)10-7-5-4-6-9/h4-5H,6-7H2,1-3H3/b5-4+ |
| InChIKey | ANBQMNMCWVIXDM-SNAWJCMRSA-N |
| Molecular Weight | 162.660 g/mol |
| SMILES | C(\C=C\CCl)OC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968549 |