| SpectraBase Spectrum ID |
IJR9WIVqiB7 |
| Name |
4,4-Diethyl 1-methyl non-1-en-6-yne-1,4,4-tricarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.157288487 u |
| Formula |
C17H24O6 |
| InChI |
InChI=1S/C17H24O6/c1-5-8-9-12-17(15(19)22-6-2,16(20)23-7-3)13-10-11-14(18)21-4/h10-11H,5-7,12-13H2,1-4H3/b11-10+ |
| InChIKey |
XLHKMTWXVUEIAE-ZHACJKMWSA-N |
| Molecular Weight |
324.373 g/mol |
| SMILES |
C(C(OCC)=O)(C\C=C\C(OC)=O)(C(OCC)=O)CC#CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981279 |
