| SpectraBase Compound ID | BnS4V82Ut1u |
|---|---|
| InChI | InChI=1S/C18H31ClO4/c1-2-3-4-10-15-22-17(20)12-13-18(21)23-16-11-8-6-5-7-9-14-19/h2H,1,3-16H2 |
| InChIKey | BFVSTGCZCBBQOO-UHFFFAOYSA-N |
| Mol Weight | 346.9 g/mol |
| Molecular Formula | C18H31ClO4 |
| Exact Mass | 346.191087 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6M2Jw3I3vP9 |
|---|---|
| Name | Succinic acid, 8-chlorooctyl hex-5-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.191087174 u |
| Formula | C18H31ClO4 |
| InChI | InChI=1S/C18H31ClO4/c1-2-3-4-10-15-22-17(20)12-13-18(21)23-16-11-8-6-5-7-9-14-19/h2H,1,3-16H2 |
| InChIKey | BFVSTGCZCBBQOO-UHFFFAOYSA-N |
| Molecular Weight | 346.895 g/mol |
| SMILES | C(CC(OCCCCCCCCCl)=O)C(OCCCCC=C)=O |