| SpectraBase Spectrum ID |
4Ve0SAQln5W |
| Name |
Shikonin |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
14751 |
| Lot Number |
0470247-19 |
| Accessory |
DurasamplIR II |
| Apodization Function |
Norton-Beer, medium |
| CAS Registry Number |
517-89-5 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H16O5 |
| IUPAC Name |
5,8-Dihydroxy-2-[(1R)-1-hydroxy-4-methyl-3-penten-1-yl]-1,4-naphthalenedione |
| InChI |
InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1 |
| InChIKey |
NEZONWMXZKDMKF-SNVBAGLBSA-N |
| Instrument Name |
Bio-Rad FTS
|
| SMILES |
Oc1ccc(c2C(\C=C\([C@@](CC=C(C)C)(O)[H])C(c12)=O)=O)O |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
C.I. 75535; Isoarnebin 4; NSC 252844 |
| Technique |
ATR-Neat |
