| SpectraBase Spectrum ID |
GZXOV0MkFhM |
| Name |
Eupatilin, mono-TMS (non completely derivatized) |
| 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 |
344.089602848 u |
| Formula |
C18H16O7 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3 |
| InChIKey |
DRRWBCNQOKKKOL-UHFFFAOYSA-N |
| Molecular Weight |
344.319 g/mol |
| Nominal Mass |
344 u |
| Number of Peaks |
303 |
| SMILES |
Oc1c2c(cc(c1OC)O)OC(=CC2=O)c1cc(c(OC)cc1)OC |
| SPLASH |
splash10-01bi-9838400000-19130ba7312be1d2f6cf |
| Sample Description |
Underivatized structure given |
| Source |
Sigma-Aldrich |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001720 |
