SpectraBase Spectrum ID |
5Ww0JgeswNC |
Name |
(Z,Z)-Dimethyl 2,2,11,11-tetramethyldodeca-4,8-diene-1,12-dioate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
310.214409442 u |
Formula |
C18H30O4 |
InChI |
InChI=1S/C18H30O4/c1-17(2,15(19)21-5)13-11-9-7-8-10-12-14-18(3,4)16(20)22-6/h9-12H,7-8,13-14H2,1-6H3/b11-9-,12-10- |
InChIKey |
UVBGEAVUCKQFSH-HWAYABPNSA-N |
SMILES |
C(C(C\C=C/CC\C=C/CC(C(=O)OC)(C)C)(C)C)(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967105 |