| SpectraBase Spectrum ID |
KmY9j4l2Gx9 |
| Name |
Sebacic acid, butyl 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/c1-4-5-14-22-17(20)12-10-8-6-7-9-11-13-18(21)23-16(3)15(2)19/h16H,4-14H2,1-3H3 |
| InChIKey |
UYFJLCZXAVBUCI-UHFFFAOYSA-N |
| Molecular Weight |
328.449 g/mol |
| SMILES |
C(OC(CCCCCCCCC(OCCCC)=O)=O)(C(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956208 |
