SpectraBase Compound ID | 8N1HuOywdt1 |
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InChI | InChI=1S/C16H13BrO4/c1-20-12-8-6-11(7-9-12)15(18)10-21-16(19)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3 |
InChIKey | DVQQOBJNGMGWON-UHFFFAOYSA-N |
Mol Weight | 349.18 g/mol |
Molecular Formula | C16H13BrO4 |
Exact Mass | 347.999722 g/mol |
SpectraBase Spectrum ID | JN16CVoB6zm |
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Name | Benzoic acid, 2-bromo-, [2-(4-methoxyphenyl)-2-oxo]ethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 347.999721895 u |
Formula | C16H13BrO4 |
InChI | InChI=1S/C16H13BrO4/c1-20-12-8-6-11(7-9-12)15(18)10-21-16(19)13-4-2-3-5-14(13)17/h2-9H,10H2,1H3 |
InChIKey | DVQQOBJNGMGWON-UHFFFAOYSA-N |
Molecular Weight | 349.180 g/mol |
SMILES | C1(C(OCC(C2=CC=C(OC)C=C2)=O)=O)=C(Br)C=CC=C1 |