SpectraBase Spectrum ID |
D4Qtt8XO9OY |
Name |
9-Methoxycarbonyldec-9-enoic acid, o-methyl |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
242.151809184 u |
Formula |
C13H22O4 |
InChI |
InChI=1S/C13H22O4/c1-11(13(15)17-3)9-7-5-4-6-8-10-12(14)16-2/h1,4-10H2,2-3H3 |
InChIKey |
ICOIIDMPNQDVKB-UHFFFAOYSA-N |
Molecular Weight |
242.315 g/mol |
SMILES |
C(CCCCCCCC(=C)C(=O)OC)(=O)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955492 |