| SpectraBase Compound ID | IZ6sbUdcDhl |
|---|---|
| InChI | InChI=1S/C7H12O4/c1-5(7(10)11)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) |
| InChIKey | JZUMVFMLJGSMRF-UHFFFAOYSA-N |
| Mol Weight | 160.17 g/mol |
| Molecular Formula | C7H12O4 |
| Exact Mass | 160.073559 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HLAMQv4yrxV |
|---|---|
| Name | 2-Methylhexanedioic acid |
| CAS Registry Number | 626-70-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O4 |
| InChI | InChI=1S/C7H12O4/c1-5(7(10)11)3-2-4-6(8)9/h5H,2-4H2,1H3,(H,8,9)(H,10,11) |
| InChIKey | JZUMVFMLJGSMRF-UHFFFAOYSA-N |
| Molecular Weight | 160.169 g/mol |
| SMILES | OC(C(CCCC(O)=O)C)=O |
| SPLASH | splash10-074i-9200000000-99f79b3ff29154fa7af3 |
| Source of Spectrum | NP-1-9308-0 |
| Synonyms | Hexanedioic acid, 2-methyl- |
| Wiley ID | 1099982 |