| SpectraBase Compound ID | 2gDQQSAP6yk |
|---|---|
| InChI | InChI=1S/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14) |
| InChIKey | LHSCNQRBIIDZCB-UHFFFAOYSA-N |
| Mol Weight | 202.25 g/mol |
| Molecular Formula | C10H18O4 |
| Exact Mass | 202.120509 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | ADa6LaKIhM7 |
|---|---|
| Name | 3-Tert-butylhexanedioic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.120509056 u |
| Formula | C10H18O4 |
| InChI | InChI=1S/C10H18O4/c1-10(2,3)7(6-9(13)14)4-5-8(11)12/h7H,4-6H2,1-3H3,(H,11,12)(H,13,14) |
| InChIKey | LHSCNQRBIIDZCB-UHFFFAOYSA-N |
| Molecular Weight | 202.250 g/mol |
| SMILES | OC(CCC(CC(O)=O)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.936557 |