| SpectraBase Compound ID | 2zaIC4G3fJp |
|---|---|
| InChI | InChI=1S/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)31(24(5)25(6)32(27)42-35)40-34-30(39)29(38)33(41-34)28(37)20-36/h21-23,28-30,33-34,36-39H,9-20H2,1-8H3/t22?,23?,28-,29-,30+,33-,34-,35?/m1/s1 |
| InChIKey | RDDWCQFLBRGIKJ-UHFFFAOYSA-N |
| Mol Weight | 592.9 g/mol |
| Molecular Formula | C35H60O7 |
| Exact Mass | 592.433904 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IvqrEK3IPXf |
|---|---|
| Name | alpha-Tocopheryl-beta-D-mannoside |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 592.433904265 u |
| Formula | C35H60O7 |
| InChI | InChI=1S/C35H60O7/c1-21(2)12-9-13-22(3)14-10-15-23(4)16-11-18-35(8)19-17-27-26(7)31(24(5)25(6)32(27)42-35)40-34-30(39)29(38)33(41-34)28(37)20-36/h21-23,28-30,33-34,36-39H,9-20H2,1-8H3 |
| InChIKey | RDDWCQFLBRGIKJ-UHFFFAOYSA-N |
| Molecular Weight | 592.858 g/mol |
| SMILES | OC1C(C(C(CO)O)OC1Oc1c(c(C)c2c(c1C)CCC(C)(O2)CCCC(CCCC(C)CCCC(C)C)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950757 |