| SpectraBase Compound ID | LY5M9WIJ7Ht |
|---|---|
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 |
| InChIKey | GUBGYTABKSRVRQ-XLOQQCSPSA-N |
| Mol Weight | 342.3 g/mol |
| Molecular Formula | C12H22O11 |
| Exact Mass | 342.116212 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FVOPe2tJpdK |
|---|---|
| Name | alpha-Lactose |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 342.116211517 u |
| Formula | C12H22O11 |
| InChI | InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11+,12+/m1/s1 |
| InChIKey | GUBGYTABKSRVRQ-XLOQQCSPSA-N |
| SMILES | OC[C@]1(O[C@@]([C@@]([C@]([C@@]1(O[C@@]1(O[C@](CO)([C@@]([C@@]([C@]1(O)[H])(O)[H])(O)[H])[H])[H])[H])(O)[H])(O)[H])(O)[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.95876 |