| SpectraBase Compound ID | 59VLFIsqUnQ |
|---|---|
| InChI | InChI=1S/C16H21BrO10/c1-6(18)23-12-11(17)13(24-7(2)19)15(26-9(4)21)16(27-10(5)22)14(12)25-8(3)20/h11-16H,1-5H3/t11-,12-,13+,14-,15-,16+/m1/s1 |
| InChIKey | SVHAKCBZAPWQHW-AQGHMYMLSA-N |
| Mol Weight | 453.24 g/mol |
| Molecular Formula | C16H21BrO10 |
| Exact Mass | 452.03181 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GGAtVKdoQcH |
|---|---|
| Name | D-CHIRO-INOSITOL, 3-BROMO-3-DEOXY-, PENTAACETATE |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C16H21BrO10 |
| InChI | InChI=1S/C16H21BrO10/c1-6(18)23-12-11(17)13(24-7(2)19)15(26-9(4)21)16(27-10(5)22)14(12)25-8(3)20/h11-16H,1-5H3/t11-,12-,13+,14-,15-,16+/m1/s1 |
| InChIKey | SVHAKCBZAPWQHW-AQGHMYMLSA-N |
| Instrument Name | XL-100 |
| Solvent | CDCL3 |