| SpectraBase Spectrum ID |
3uaq8E2zN6q |
| Name |
9-Decenoic acid, 2,4-dimethyl-, methyl ester, (R,R)-(-)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
212.177630011 u |
| Formula |
C13H24O2 |
| InChI |
InChI=1S/C13H24O2/c1-5-6-7-8-9-11(2)10-12(3)13(14)15-4/h5,11-12H,1,6-10H2,2-4H3/t11-,12-/m1/s1 |
| InChIKey |
KZGVYFZGXMRBKJ-VXGBXAGGSA-N |
| Molecular Weight |
212.333 g/mol |
| SMILES |
C([C@@](CCCCC=C)(C)[H])[C@](C(OC)=O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971996 |
