SpectraBase Compound ID | HgaZ0sVNic5 |
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InChI | InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3 |
InChIKey | YYTSGNJTASLUOY-UHFFFAOYSA-N |
Mol Weight | 94.54 g/mol |
Molecular Formula | C3H7ClO |
Exact Mass | 94.018543 g/mol |
SpectraBase Spectrum ID | GCwgE0qFEJj |
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Name | 1-Chloro-2-propanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 94.018542544 u |
Formula | C3H7ClO |
InChI | InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3 |
InChIKey | YYTSGNJTASLUOY-UHFFFAOYSA-N |
Molecular Weight | 94.541 g/mol |
SMILES | OC(C)CCl |
Spectrum/Structure Validation Score (Raman) | 0.978873 |