| SpectraBase Compound ID | 3ujqsSPCqsN |
|---|---|
| InChI | InChI=1S/C23H27NO13/c1-10(25)31-9-17-18(32-11(2)26)19(33-12(3)27)20(34-13(4)28)22(36-17)37-23-21(29)24-15-7-6-14(30-5)8-16(15)35-23/h6-8,17-20,22-23H,9H2,1-5H3,(H,24,29)/t17-,18-,19+,20-,22+,23?/m1/s1 |
| InChIKey | SSCNSLSOXNVTSC-SPBQUBMXSA-N |
| Mol Weight | 525.46 g/mol |
| Molecular Formula | C23H27NO13 |
| Exact Mass | 525.14824 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6RuTgkLxsJR |
|---|---|
| Name | Hmboa-glc, 4ac derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 525.148239920 u |
| Formula | C23H27NO13 |
| InChI | InChI=1S/C23H27NO13/c1-10(25)31-9-17-18(32-11(2)26)19(33-12(3)27)20(34-13(4)28)22(36-17)37-23-21(29)24-15-7-6-14(30-5)8-16(15)35-23/h6-8,17-20,22-23H,9H2,1-5H3,(H,24,29)/t17-,18-,19+,20-,22+,23?/m1/s1 |
| InChIKey | SSCNSLSOXNVTSC-SPBQUBMXSA-N |
| Molecular Weight | 525.463 g/mol |
| SMILES | C1(O[C@]2([C@](OC(=O)C)([C@@](OC(=O)C)([C@](OC(=O)C)([C@](O2)(COC(=O)C)[H])[H])[H])[H])[H])C(=O)NC=2C(=CC(OC)=CC2)O1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975144 |