| SpectraBase Compound ID | FagdZvAqZQl |
|---|---|
| InChI | InChI=1S/C10H17NO9S2.K.O/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);;/q;+1;/p-1/b11-6-;;/t5-,7-,8+,9-,10+;;/m0../s1 |
| InChIKey | GVMKNQGSSYYYME-XFKKEXHPSA-M |
| Mol Weight | 413.4533 g/mol |
| Molecular Formula | C10H16KNO10S2 |
| Exact Mass | 412.98527 g/mol |
Attenuated Total Reflectance Infrared (ATR-IR) Spectrum
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| SpectraBase Spectrum ID | BSKOe7Y1E9C |
|---|---|
| Name | (-)-Sinigrin hydrate |
| Source of Sample | Aldrich |
| Catalog Number | S3305 |
| CAS Registry Number | 3952-98-5 |
| Comments | MW calculated on anhydrous base |
| Copyright | Copyright © 2018-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C10H16KNO9S2*xH2O |
| InChI | InChI=1S/C10H17NO9S2.K.O/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10;;/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18);;/q;+1;/p-1/b11-6-;;/t5-,7-,8+,9-,10+;;/m0../s1 |
| InChIKey | GVMKNQGSSYYYME-XFKKEXHPSA-M |
| Purity | 98% |
| Synonyms | SINIGRIN MONOHYDRATE Sinigrin hydrate |
| Wiley ID | SIAL_ATR-IR_024689 |