| SpectraBase Spectrum ID |
3DUby8Ic6Iv |
| Name |
Chrysophanol, mono-TMS, isomer 2 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
254.057908798 u |
| Formula |
C15H10O4 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3 |
| InChIKey |
LQGUBLBATBMXHT-UHFFFAOYSA-N |
| Molecular Weight |
254.241 g/mol |
| Nominal Mass |
254 u |
| Number of Peaks |
230 |
| SMILES |
Oc1cccc2C(c3cc(cc(c3C(c12)=O)O)C)=O |
| SPLASH |
splash10-03di-1229000000-f9120000408df0513b8f |
| Sample Description |
Underivatized structure given |
| Source |
non-completely silanised authentic (Sigma) preparation |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI000432 |
