| SpectraBase Compound ID | 1pEFcguHWpo |
|---|---|
| InChI | InChI=1S/C11H12Cl2O5/c12-5-1-2-8(6(13)3-5)18-11-10(16)9(15)7(14)4-17-11/h1-3,7,9-11,14-16H,4H2/t7-,9+,10-,11+/m1/s1 |
| InChIKey | NTVBZVYRZIIKKI-DQDDRIPDSA-N |
| Mol Weight | 295.12 g/mol |
| Molecular Formula | C11H12Cl2O5 |
| Exact Mass | 294.006179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 87YGx2AZVG2 |
|---|---|
| Name | 2,4-Dichlorophenyl beta-D-xylopyranoside |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 294.006178881 u |
| Formula | C11H12Cl2O5 |
| InChI | InChI=1S/C11H12Cl2O5/c12-5-1-2-8(6(13)3-5)18-11-10(16)9(15)7(14)4-17-11/h1-3,7,9-11,14-16H,4H2/t7-,9+,10-,11+/m1/s1 |
| InChIKey | NTVBZVYRZIIKKI-DQDDRIPDSA-N |
| SMILES | O[C@@]1(CO[C@]([C@@]([C@]1(O)[H])(O)[H])(OC=1C(=CC(=CC1)Cl)Cl)[H])[H] |