| SpectraBase Spectrum ID |
1JIm0dbBJTL |
| Name |
Esculin Hydrate |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
28514 |
| Lot Number |
0589827-7 |
| Accessory |
DurasamplIR II |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
358.089996770 u |
| Formula |
C15H18O10 |
| InChI |
InChI=1S/C15H16O9.H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17;/h1-4,10,12-17,19-21H,5H2;1H2/t10-,12-,13+,14-,15-;/m1./s1 |
| InChIKey |
CQYPGSKIFJFVDQ-QWFKVUSTSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
358.299 g/mol |
| Purity |
≥98% |
| Resolution |
4 |
| SMILES |
O.O[C@]1([C@@]([C@]([C@@](O[C@@]1(CO)[H])(OC=1C=C2C(OC(=O)C=C2)=CC1O)[H])(O)[H])(O)[H])[H] |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
6-(β-D-glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one, hydrate
Aesculin
Enallachrome |
| Technique |
ATR-Neat |
