| SpectraBase Compound ID | FnoLcWK9UoB |
|---|---|
| InChI | InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1 |
| InChIKey | WHGYBXFWUBPSRW-FOUAGVGXSA-N |
| Mol Weight | 1135.0 g/mol |
| Molecular Formula | C42H70O35 |
| Exact Mass | 1134.369764 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GRbA6jrhUIE |
|---|---|
| Name | β-Cyclodextrin |
| Source of Sample | Sigma-Aldrich Company LLC |
| CAS Registry Number | 7585-39-9 |
| Cell Type | NMR tube |
| Compound Type | Pure |
| Copyright | Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C42H70O35 |
| InChI | InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1 |
| InChIKey | WHGYBXFWUBPSRW-FOUAGVGXSA-N |
| Raman Corrections | Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power | 597 mW |
| Raman Laser Source | Nd:YAG |
| SMILES | O[C@]1([C@]2([C@](O[C@](O[C@@]3([C@](O[C@](O[C@@]4([C@](O[C@](O[C@@]5([C@](O[C@](O[C@@]6([C@](O[C@](O[C@@]7([C@](O[C@](O[C@]8([C@@]([C@]([C@@](O2)(O[C@@]8(CO)[H])[H])(O)[H])(O)[H])[H])([C@@]([C@]7(O)[H])(O)[H])[H])(CO)[H])[H])([C@@]([C@]6(O)[H])(O)[H])[H])(CO)[H])[H])([C@@]([C@]5(O)[H])(O)[H])[H])(CO)[H])[H])([C@@]([C@]4(O)[H])(O)[H])[H])(CO)[H])[H])([C@@]([C@]3(O)[H])(O)[H])[H])(CO)[H])[H])([C@@]1(O)[H])[H])(CO)[H])[H])[H] |
| Scans Performed | 5888 |
| Source of Spectrum | Forensic Spectral Research |
| Technique | FT-Raman |