| SpectraBase Compound ID | IsgO59ivvxx |
|---|---|
| InChI | InChI=1S/C6H13ClO/c1-4(2)6(8)5(3)7/h4-6,8H,1-3H3 |
| InChIKey | IOHWHYWLEQQHQB-UHFFFAOYSA-N |
| Mol Weight | 136.62 g/mol |
| Molecular Formula | C6H13ClO |
| Exact Mass | 136.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GAwlaZj78k4 |
|---|---|
| Name | 3-Pentanol, 2-chloro-4-methyl-, (R*,R*)-(.+/-.)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.065492738 u |
| Formula | C6H13ClO |
| InChI | InChI=1S/C6H13ClO/c1-4(2)6(8)5(3)7/h4-6,8H,1-3H3 |
| InChIKey | IOHWHYWLEQQHQB-UHFFFAOYSA-N |
| Molecular Weight | 136.622 g/mol |
| SMILES | C(C(C(C)Cl)O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891155 |