| SpectraBase Compound ID | ICbHdjPVNAn |
|---|---|
| InChI | InChI=1S/C8H12O4/c1-5-3-2-4-8(5,6(9)10)7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12) |
| InChIKey | QNPQNWVQZIOARS-UHFFFAOYSA-N |
| Mol Weight | 172.18 g/mol |
| Molecular Formula | C8H12O4 |
| Exact Mass | 172.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 9zRfAMQaZor |
|---|---|
| Name | 2-Methylcyclopentane-1,1-dicarboxylic acid |
| CAS Registry Number | 90200-06-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H12O4 |
| InChI | InChI=1S/C8H12O4/c1-5-3-2-4-8(5,6(9)10)7(11)12/h5H,2-4H2,1H3,(H,9,10)(H,11,12) |
| InChIKey | QNPQNWVQZIOARS-UHFFFAOYSA-N |
| Molecular Weight | 172.180 g/mol |
| SMILES | OC(C1(C(=O)O)C(CCC1)C)=O |
| SPLASH | splash10-014j-7900000000-6949f621233bfad061ac |
| Source of Spectrum | I-67-561-47 |
| Wiley ID | 1168496 |