| SpectraBase Spectrum ID |
2tO0AS9zTgt |
| Name |
Tetraethyl 2-pentylidenecycloheptane-1,1,4,4-tetracarboxylate |
| Comments |
Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C24H38O8 - which differs from the formula reported for the mass spectrum (C22H34O8) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H34O8 |
| InChI |
InChI=1S/C24H38O8/c1-6-11-12-14-18-17-23(19(25)29-7-2,20(26)30-8-3)15-13-16-24(18,21(27)31-9-4)22(28)32-10-5/h14H,6-13,15-17H2,1-5H3 |
| InChIKey |
TZVQWOAFGIBKPC-UHFFFAOYSA-N |
| Molecular Weight |
454.560 g/mol |
| SMILES |
C(CCCC)=C1C(CCCC(C1)(C(=O)OCC)C(=O)OCC)(C(=O)OCC)C(=O)OCC |
| SPLASH |
splash10-0ue9-0079000000-0f92154dcde2b7bbe80e |
| Source of Spectrum |
KC-0-20-19 |
| Wiley ID |
775891 |
