SpectraBase Compound ID | 6fOLibZNqkw |
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InChI | InChI=1S/C10H19BrO/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9,12H,4-6H2,1-3H3 |
InChIKey | JWKWNFCJNFTUOQ-UHFFFAOYSA-N |
Mol Weight | 235.16 g/mol |
Molecular Formula | C10H19BrO |
Exact Mass | 234.061928 g/mol |
SpectraBase Spectrum ID | 3McNv2D1402 |
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Name | 2-Bromo-1-hydroxy-p-menthane |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 234.061928231 u |
Formula | C10H19BrO |
InChI | InChI=1S/C10H19BrO/c1-7(2)8-4-5-10(3,12)9(11)6-8/h7-9,12H,4-6H2,1-3H3 |
InChIKey | JWKWNFCJNFTUOQ-UHFFFAOYSA-N |
Molecular Weight | 235.165 g/mol |
SMILES | C1C(CCC(C1Br)(C)O)C(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.918215 |