| SpectraBase Compound ID | B2NJMtAaR76 |
|---|---|
| InChI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/i7D |
| InChIKey | CDAISMWEOUEBRE-WHRKIXHSSA-N |
| Mol Weight | 181.16 g/mol |
| Molecular Formula | C6H112DO6 |
| Exact Mass | 181.069665 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | Fn7EoxGV7Ao |
|---|---|
| Name | D1-1,3,5/2,4,6-cyclohexanehexol |
| Alternate Name(s) | 2-D1-mS-inositol |
| CAS Registry Number | 54676-40-3 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C6H11DO6 |
| InChI | InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/i7D |
| InChIKey | CDAISMWEOUEBRE-WHRKIXHSSA-N |
| Molecular Weight | 181.162 g/mol |
| SMILES | OC1C(C(C(C(C1O)O)O[2D])O)O |
| SPLASH | splash10-00di-9000000000-ca5d0d67366aec5912fb |
| Source of Spectrum | T-68-706-0 |
| Wiley ID | 17953 |