| SpectraBase Compound ID | 5mm6rD0ANLC |
|---|---|
| InChI | InChI=1S/C23H30O13/c1-11(24)31-10-18-20(32-12(2)25)21(33-13(3)26)22(34-14(4)27)23(36-18)35-15-8-16(28-5)19(30-7)17(9-15)29-6/h8-9,18,20-23H,10H2,1-7H3/t18-,20-,21+,22-,23-/m1/s1 |
| InChIKey | NLKKHZDQGNSHOS-DODNOZFWSA-N |
| Mol Weight | 514.48 g/mol |
| Molecular Formula | C23H30O13 |
| Exact Mass | 514.168641 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2GtaZ7EuVPf |
|---|---|
| Name | Koaburside, tetraacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 514.168641013 u |
| Formula | C23H30O13 |
| InChI | InChI=1S/C23H30O13/c1-11(24)31-10-18-20(32-12(2)25)21(33-13(3)26)22(34-14(4)27)23(36-18)35-15-8-16(28-5)19(30-7)17(9-15)29-6/h8-9,18,20-23H,10H2,1-7H3/t18-,20-,21+,22-,23-/m1/s1 |
| InChIKey | NLKKHZDQGNSHOS-DODNOZFWSA-N |
| Molecular Weight | 514.480 g/mol |
| SMILES | [C@]1(OC=2C=C(C(=C(C2)OC)OC)OC)(O[C@@]([C@]([C@@]([C@]1(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972939 |