| SpectraBase Spectrum ID |
AwliFcpnck5 |
| Name |
Isousnic acid |
| CAS Registry Number |
18058-86-1 |
| 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 |
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/c1-6-14(22)12(8(3)20)15(23)13-16(6)25-10-5-9(21)11(7(2)19)17(24)18(10,13)4/h5,21-23H,1-4H3 |
| InChIKey |
GRIDHCOCFJSWSY-UHFFFAOYSA-N |
| Molecular Weight |
344.319 g/mol |
| Nominal Mass |
344 u |
| Number of Peaks |
40 |
| SMILES |
Oc1c(c(c2c(OC3=CC(O)=C(C(C23C)=O)C(=O)C)c1C)O)C(=O)C |
| SPLASH |
splash10-03yl-2192000000-2c8267e4418965d6df8e |
| Source |
Cladonia arbuscula |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001050 |
