| SpectraBase Spectrum ID |
J6W4tHvtGk9 |
| Name |
Adipic acid, butyl 2,4-dimethylpent-3-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
300.230059506 u |
| Formula |
C17H32O4 |
| InChI |
InChI=1S/C17H32O4/c1-6-7-12-20-15(18)10-8-9-11-16(19)21-17(13(2)3)14(4)5/h13-14,17H,6-12H2,1-5H3 |
| InChIKey |
XSCNOJMTCNMZEE-UHFFFAOYSA-N |
| SMILES |
C(OC(C(C)C)C(C)C)(CCCCC(OCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844803 |
