| SpectraBase Spectrum ID |
I8XSC975yoF |
| Name |
Pentanedioic acid, 3,3-dimethyl-, bis(1-methylpropyl) ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
272.198759378 u |
| Formula |
C15H28O4 |
| InChI |
InChI=1S/C15H28O4/c1-7-11(3)18-13(16)9-15(5,6)10-14(17)19-12(4)8-2/h11-12H,7-10H2,1-6H3 |
| InChIKey |
ROSCATZCEJXKMO-UHFFFAOYSA-N |
| SMILES |
C(C(CC(OC(CC)C)=O)(C)C)C(OC(CC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.880426 |
