SpectraBase Compound ID | 9MfE8keZTC7 |
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InChI | InChI=1S/C12H20O4/c1-4-8-15-11(13)5-6-12(14)16-9-7-10(2)3/h2,4-9H2,1,3H3 |
InChIKey | ZUJFYESWLQIMRW-UHFFFAOYSA-N |
Mol Weight | 228.29 g/mol |
Molecular Formula | C12H20O4 |
Exact Mass | 228.136159 g/mol |
SpectraBase Spectrum ID | 8rnEjFlvfMv |
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Name | Succinic acid, 3-methylbut-3-enyl propyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 228.136159120 u |
Formula | C12H20O4 |
InChI | InChI=1S/C12H20O4/c1-4-8-15-11(13)5-6-12(14)16-9-7-10(2)3/h2,4-9H2,1,3H3 |
InChIKey | ZUJFYESWLQIMRW-UHFFFAOYSA-N |
Molecular Weight | 228.288 g/mol |
SMILES | CC(=C)CCOC(CCC(OCCC)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982882 |