SpectraBase Compound ID | JBsYkU6peyC |
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InChI | InChI=1S/C12H20O4/c1-4-5-8-15-11(13)6-7-12(14)16-9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+ |
InChIKey | PGCVLYZIWORAQL-VOTSOKGWSA-N |
Mol Weight | 228.29 g/mol |
Molecular Formula | C12H20O4 |
Exact Mass | 228.136159 g/mol |
SpectraBase Spectrum ID | DR1XaxxCGTx |
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Name | Fumaric acid, butyl isobutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 228.136159120 u |
Formula | C12H20O4 |
InChI | InChI=1S/C12H20O4/c1-4-5-8-15-11(13)6-7-12(14)16-9-10(2)3/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+ |
InChIKey | PGCVLYZIWORAQL-VOTSOKGWSA-N |
Molecular Weight | 228.288 g/mol |
SMILES | C(\C=C\C(OCC(C)C)=O)(OCCCC)=O |