| SpectraBase Compound ID | LGasPDs5EwR |
|---|---|
| InChI | InChI=1S/C22H32O4/c1-13-15-6-7-17-20(3)9-5-10-21(4,19(24)25)16(20)8-11-22(17,12-15)18(13)26-14(2)23/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17+,18+,20-,21-,22-/m1/s1 |
| InChIKey | AQBQBBLJTDSVLC-RVXFQSDISA-N |
| Mol Weight | 360.5 g/mol |
| Molecular Formula | C22H32O4 |
| Exact Mass | 360.23006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvFGUqPEqZ |
|---|---|
| Name | XYLOPIC-ACID |
| CAS Registry Number | 6619-97-2 |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H32O4 |
| InChI | InChI=1S/C22H32O4/c1-13-15-6-7-17-20(3)9-5-10-21(4,19(24)25)16(20)8-11-22(17,12-15)18(13)26-14(2)23/h15-18H,1,5-12H2,2-4H3,(H,24,25)/t15-,16+,17+,18+,20-,21-,22-/m1/s1 |
| InChIKey | AQBQBBLJTDSVLC-RVXFQSDISA-N |
| Literature Reference Author | J.R.HANSON,M.SIVERNS,F.PIOZZI,G.SAVONA |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,114(1976) |
| Literature Reference DOI | 10.1039/p19760000114 |
| Molecular Weight | 360.494 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UNIW21318 |