| SpectraBase Compound ID | I01cP3rO4Lv |
|---|---|
| InChI | InChI=1S/C12H22O11.O/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 | TWKJWZJNIQYXHG-KPKNDVKVSA-N |
| Mol Weight | 358.3 g/mol |
| Molecular Formula | C12H22O12 |
| Exact Mass | 358.111126 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 6RdqP4VIcXx |
|---|---|
| Name | D-Lactose monohydrate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.111126136 u |
| Formula | C12H22O12 |
| InChI | InChI=1S/C12H22O11.O/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 | TWKJWZJNIQYXHG-KPKNDVKVSA-N |
| Molecular Weight | 358.296 g/mol |
| Nominal Mass | 358 u |
| SMILES | [O].[C@]1([C@@]([C@@](O)([C@]([C@](O1)(CO)[H])(O)[H])[H])(O)[H])(O[C@]1([C@@]([C@@](O)([C@](O[C@@]1(CO)[H])(O)[H])[H])(O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Raman) | 0.907756 |