| SpectraBase Compound ID | 72H9vpsrFei |
|---|---|
| InChI | InChI=1S/C20H29ClO3/c1-2-18-16-14-17(21)20(23)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)24-18/h4-7,10,12,15-18,20,23H,2-3,8-9,11,13-14H2,1H3/b6-4-,7-5-,12-10-/t15-,16+,17+,18-,20+/m0/s1 |
| InChIKey | XSVVTBMSEOBKQC-UFMICMNASA-N |
| Mol Weight | 352.9 g/mol |
| Molecular Formula | C20H29ClO3 |
| Exact Mass | 352.180522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C48XiIpYvsc |
|---|---|
| Name | EISENIACHLORIDE-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H29ClO3 |
| InChI | InChI=1S/C20H29ClO3/c1-2-18-16-14-17(21)20(23)15(16)12-10-8-6-4-3-5-7-9-11-13-19(22)24-18/h4-7,10,12,15-18,20,23H,2-3,8-9,11,13-14H2,1H3/b6-4-,7-5-,12-10-/t15-,16+,17+,18-,20+/m0/s1 |
| InChIKey | XSVVTBMSEOBKQC-UFMICMNASA-N |
| Literature Reference Author | K.KOUSAKA,N.OGI,Y.AKAZAWA,M.FUJIEDA,Y.YAMAMOTO,Y.TAKADA,J.KI MURA |
| Literature Reference Citation | J.NAT.PROD.,66,1318(2003) |
| Literature Reference DOI | 10.1021/np030049t |
| Molecular Weight | 352.901 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSP1095 |