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SpectraBase Compound ID | 81f1z5zI30V |
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InChI | InChI=1S/C10H11BrO3/c1-7(12)14-10-5-9(13-2)4-3-8(10)6-11/h3-5H,6H2,1-2H3 |
InChIKey | HRMYMSVBBAQEOE-UHFFFAOYSA-N |
Mol Weight | 259.1 g/mol |
Molecular Formula | C10H11BrO3 |
Exact Mass | 257.989157 g/mol |
SpectraBase Spectrum ID | 3aYtfcmxhP5 |
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Name | Phenol, 2-(bromomethyl)-5-methoxy-, acetate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 257.989157211 u |
Formula | C10H11BrO3 |
InChI | InChI=1S/C10H11BrO3/c1-7(12)14-10-5-9(13-2)4-3-8(10)6-11/h3-5H,6H2,1-2H3 |
InChIKey | HRMYMSVBBAQEOE-UHFFFAOYSA-N |
Molecular Weight | 259.099 g/mol |
SMILES | COC1=CC=C(C(=C1)OC(C)=O)CBr |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910724 |