| SpectraBase Spectrum ID |
BX8UIb2FV8C |
| Name |
Adipic acid, di(3,3-dimethylbut-2-yl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.245709571 u |
| Formula |
C18H34O4 |
| InChI |
InChI=1S/C18H34O4/c1-13(17(3,4)5)21-15(19)11-9-10-12-16(20)22-14(2)18(6,7)8/h13-14H,9-12H2,1-8H3 |
| InChIKey |
LIIWLPQEOZDNDG-UHFFFAOYSA-N |
| SMILES |
C(OC(C(C)(C)C)C)(CCCCC(OC(C(C)(C)C)C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.982158 |
