SpectraBase Compound ID | 5p9d3xwVsNb |
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InChI | InChI=1S/C18H17BrO4/c1-2-10-22-17(20)14-6-8-15(9-7-14)18(21)23-12-13-4-3-5-16(19)11-13/h3-9,11H,2,10,12H2,1H3 |
InChIKey | GNFJGFAWBOTCKT-UHFFFAOYSA-N |
Mol Weight | 377.23 g/mol |
Molecular Formula | C18H17BrO4 |
Exact Mass | 376.031022 g/mol |
SpectraBase Spectrum ID | Eu3fwqX9SUE |
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Name | Terephthalic acid, 3-bromobenzyl propyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 376.031022023 u |
Formula | C18H17BrO4 |
InChI | InChI=1S/C18H17BrO4/c1-2-10-22-17(20)14-6-8-15(9-7-14)18(21)23-12-13-4-3-5-16(19)11-13/h3-9,11H,2,10,12H2,1H3 |
InChIKey | GNFJGFAWBOTCKT-UHFFFAOYSA-N |
Molecular Weight | 377.234 g/mol |
SMILES | C1=CC(=CC=C1C(OCC1=CC(=CC=C1)Br)=O)C(OCCC)=O |