| SpectraBase Spectrum ID |
BIj40sgWQlO |
| Name |
Decarbousnic acid |
| CAS Registry Number |
21402-79-9 |
| 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 |
318.110338294 u |
| Formula |
C17H18O6 |
| GC Column |
HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness) |
| InChI |
InChI=1S/C17H18O6/c1-7(18)5-11(20)6-12-8(2)13-15(21)9(3)16(22)14(10(4)19)17(13)23-12/h21-22H,5-6H2,1-4H3 |
| InChIKey |
BLYIQXWINBIBSV-UHFFFAOYSA-N |
| Molecular Weight |
318.325 g/mol |
| Nominal Mass |
318 u |
| Number of Peaks |
40 |
| SMILES |
Oc1c2c(c(oc2c(c(O)c1C)C(=O)C)CC(=O)CC(=O)C)C |
| SPLASH |
splash10-001i-2191000000-2373ee4be8ccaf9b0938 |
| Source |
Cladonia arbuscula |
| Source of Spectrum |
Biologically and Environmentally Important Organic Compounds: GCMS Library |
| Wiley ID |
VI001049 |
