SpectraBase Compound ID | FCE8qnN3KMg |
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InChI | InChI=1S/C14H13BrO2/c15-14-7-6-13(8-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2 |
InChIKey | DKAQADNPOACIKZ-UHFFFAOYSA-N |
Mol Weight | 293.16 g/mol |
Molecular Formula | C14H13BrO2 |
Exact Mass | 292.009893 g/mol |
SpectraBase Spectrum ID | 9ajlitOoNfq |
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Name | 2-Bromo-5-(benzyloxy)benzyl alcohol |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 292.009892657 u |
Formula | C14H13BrO2 |
InChI | InChI=1S/C14H13BrO2/c15-14-7-6-13(8-12(14)9-16)17-10-11-4-2-1-3-5-11/h1-8,16H,9-10H2 |
InChIKey | DKAQADNPOACIKZ-UHFFFAOYSA-N |
SMILES | C=1(C(=CC=C(C1)OCC=1C=CC=CC1)Br)CO |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926091 |