| SpectraBase Spectrum ID |
KfaUnixUjj2 |
| Name |
Pimelic acid, 5-methoxy-3-methylpent-2-yl isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
330.240624190 u |
| Formula |
C18H34O5 |
| InChI |
InChI=1S/C18H34O5/c1-14(2)13-22-17(19)9-7-6-8-10-18(20)23-16(4)15(3)11-12-21-5/h14-16H,6-13H2,1-5H3 |
| InChIKey |
TWAZJLJGYDNEPC-UHFFFAOYSA-N |
| Molecular Weight |
330.465 g/mol |
| SMILES |
C(OC(C(C)CCOC)C)(=O)CCCCCC(OCC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.935986 |
