SpectraBase Compound ID | 3blKPruPo4p |
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InChI | InChI=1S/C6H10O4/c1-4(6(8)9)3-5(7)10-2/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1 |
InChIKey | UVQYBUYGFBXQGO-SCSAIBSYSA-N |
Mol Weight | 146.14 g/mol |
Molecular Formula | C6H10O4 |
Exact Mass | 146.057909 g/mol |
SpectraBase Spectrum ID | 7AR0fstQkKB |
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Name | (R)-(+)-2-methylsuccinic acid 4-methyl ester |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 146.057908798 u |
Formula | C6H10O4 |
InChI | InChI=1S/C6H10O4/c1-4(6(8)9)3-5(7)10-2/h4H,3H2,1-2H3,(H,8,9)/t4-/m1/s1 |
InChIKey | UVQYBUYGFBXQGO-SCSAIBSYSA-N |
SMILES | C([C@@](CC(=O)OC)(C)[H])(=O)O |
Spectrum/Structure Validation Score (Raman) | 0.927627 |