| SpectraBase Spectrum ID |
C22NZBG6cxK |
| Name |
Emodin, di-TMS, isomer 1 |
| 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 |
270.052823417 u |
| Formula |
C15H10O5 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 |
| InChIKey |
RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| Molecular Weight |
270.240 g/mol |
| Nominal Mass |
270 u |
| Number of Peaks |
186 |
| SMILES |
Oc1c2C(c3c(cc(cc3C(c2cc(c1)C)=O)O)O)=O |
| SPLASH |
splash10-0002-0119300000-16689fb0bbb31b5cd2c1 |
| Sample Description |
Underivatized structure given |
| Source |
Sigma-Aldrich |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001095 |
