SpectraBase Spectrum ID |
7F4iSfhnk5E |
Name |
Succinic acid, 4,4-dimethylpent-2-yl 2-methylhex-3-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/c1-8-9-15(13(2)3)22-17(20)11-10-16(19)21-14(4)12-18(5,6)7/h13-15H,8-12H2,1-7H3 |
InChIKey |
WNGISUOQXYIICS-UHFFFAOYSA-N |
SMILES |
C(CCC(OC(CC(C)(C)C)C)=O)(OC(CCC)C(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848921 |