| SpectraBase Spectrum ID |
4fmB1k9Qo8o |
| Name |
Sebacic acid, isobutyl 3-oxobut-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
328.224974125 u |
| Formula |
C18H32O5 |
| InChI |
InChI=1S/C18H32O5/c1-14(2)13-22-17(20)11-9-7-5-6-8-10-12-18(21)23-16(4)15(3)19/h14,16H,5-13H2,1-4H3 |
| InChIKey |
SMQVSQKGXHMWOI-UHFFFAOYSA-N |
| Molecular Weight |
328.449 g/mol |
| SMILES |
C(OC(CCCCCCCCC(OCC(C)C)=O)=O)(C(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979171 |
