SpectraBase Compound ID | 5HPYmbQ6IhO |
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InChI | InChI=1S/C20H29BrO5/c1-2-24-19(22)9-7-5-3-4-6-8-10-20(23)26-16-15-25-18-13-11-17(21)12-14-18/h11-14H,2-10,15-16H2,1H3 |
InChIKey | STOVXNLCODTLNQ-UHFFFAOYSA-N |
Mol Weight | 429.35 g/mol |
Molecular Formula | C20H29BrO5 |
Exact Mass | 428.119837 g/mol |
SpectraBase Spectrum ID | BJBJlechXhi |
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Name | Sebacic acid, 2-(4-bromophenoxy)ethyl ethyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 428.119837029 u |
Formula | C20H29BrO5 |
InChI | InChI=1S/C20H29BrO5/c1-2-24-19(22)9-7-5-3-4-6-8-10-20(23)26-16-15-25-18-13-11-17(21)12-14-18/h11-14H,2-10,15-16H2,1H3 |
InChIKey | STOVXNLCODTLNQ-UHFFFAOYSA-N |
Molecular Weight | 429.351 g/mol |
SMILES | C(CCCCCCC(OCC)=O)CC(OCCOC1=CC=C(C=C1)Br)=O |