| SpectraBase Compound ID | 5ULQycGWf3W |
|---|---|
| InChI | InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12) |
| InChIKey | AAWZDTNXLSGCEK-UHFFFAOYSA-N |
| Mol Weight | 192.17 g/mol |
| Molecular Formula | C7H12O6 |
| Exact Mass | 192.063388 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LRcMoRpA7Y8 |
|---|---|
| Name | 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid |
| CAS Registry Number | 77-95-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H12O6 |
| InChI | InChI=1S/C7H12O6/c8-3-1-7(13,6(11)12)2-4(9)5(3)10/h3-5,8-10,13H,1-2H2,(H,11,12) |
| InChIKey | AAWZDTNXLSGCEK-UHFFFAOYSA-N |
| Molecular Weight | 192.167 g/mol |
| SMILES | OC(C1(CC(C(C(C1)O)O)O)O)=O |
| SPLASH | splash10-03xr-9400000000-7ef7456bc47ab3dbff12 |
| Source of Spectrum | NP-3-5943-0 |
| Synonyms | 1,3,4,5-tetrahydroxy-1-cyclohexanecarboxylic acid 1,3,4,5-tetrahydroxycyclohexane-1-carboxylic acid 1,3,4,5-Tetrahydroxycyclohexanecarboxylic acid (1R-(1alpha,3alpha,4alpha,5beta) 1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid Chinasaure Chinic acid Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (-)- Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1R-(1-alpha,3-alpha,4-alpha,5-beta))- Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, (1theta-(1alpha,3alpha,4alpha,5beta))- Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, D-(-)- Cyclohexanecarboxylic acid, 1,3,4,5-tetrahydroxy-, [1R-(1.alpha.,3.alpha.,4.alpha.,5.beta.)]- D-(-)-Quinic acid Kinic acid Quinate Quinic acid EINECS 201-072-8 NSC 59258 |
| Wiley ID | 1102960 |