SpectraBase Compound ID | 98znMkBiMS0 |
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InChI | InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3 |
InChIKey | WEGOLYBUWCMMMY-UHFFFAOYSA-N |
Mol Weight | 138.99 g/mol |
Molecular Formula | C3H7BrO |
Exact Mass | 137.968028 g/mol |
SpectraBase Spectrum ID | CDvMf2IqM8l |
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Name | 1-Bromo-2-propanol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 137.968027844 u |
Formula | C3H7BrO |
InChI | InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3 |
InChIKey | WEGOLYBUWCMMMY-UHFFFAOYSA-N |
SMILES | C(Br)C(O)C |
Spectrum/Structure Validation Score (Raman) | 0.897784 |