| SpectraBase Spectrum ID |
CSDmX7x8am8 |
| Name |
(E)-12-Ketotridec-10-enoic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
240.172544630 u |
| Formula |
C14H24O3 |
| InChI |
InChI=1S/C14H24O3/c1-13(15)11-9-7-5-3-4-6-8-10-12-14(16)17-2/h9,11H,3-8,10,12H2,1-2H3/b11-9+ |
| InChIKey |
XETMXYIUMVZCDQ-PKNBQFBNSA-N |
| Molecular Weight |
240.343 g/mol |
| SMILES |
C(CCCCCCCC\C=C\C(C)=O)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964798 |
