| SpectraBase Compound ID | BEMYQjhaopN |
|---|---|
| InChI | InChI=1S/C29H46O12/c1-10-11-17-12-13-18(19(14-17)31-3)39-29-27(37-9)25(35-7)23(33-5)21(41-29)16-38-28-26(36-8)24(34-6)22(32-4)20(40-28)15-30-2/h10,12-14,20-29H,1,11,15-16H2,2-9H3/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29-/m1/s1 |
| InChIKey | RQYXSWJGEUWTBB-WLIRAPOWSA-N |
| Mol Weight | 586.7 g/mol |
| Molecular Formula | C29H46O12 |
| Exact Mass | 586.298927 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | GlNLWrMcuMi |
|---|---|
| Name | Eugenol gentiobioside, 7me derivative |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 586.298926909 u |
| Formula | C29H46O12 |
| InChI | InChI=1S/C29H46O12/c1-10-11-17-12-13-18(19(14-17)31-3)39-29-27(37-9)25(35-7)23(33-5)21(41-29)16-38-28-26(36-8)24(34-6)22(32-4)20(40-28)15-30-2/h10,12-14,20-29H,1,11,15-16H2,2-9H3/t20-,21-,22-,23-,24+,25+,26-,27-,28-,29-/m1/s1 |
| InChIKey | RQYXSWJGEUWTBB-WLIRAPOWSA-N |
| Molecular Weight | 586.675 g/mol |
| SMILES | [C@@]1(OC2=C(OC)C=C(CC=C)C=C2)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(CO[C@]1([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(COC)[H])[H])[H])[H])[H])[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967064 |