| SpectraBase Spectrum ID |
1jw09Rr5Y94 |
| Name |
3-Methoxycarbonylmethylhexanedioic acid, dimethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
246.110338294 u |
| Formula |
C11H18O6 |
| InChI |
InChI=1S/C11H18O6/c1-15-9(12)5-4-8(6-10(13)16-2)7-11(14)17-3/h8H,4-7H2,1-3H3 |
| InChIKey |
QUHWZIMWRBWBBN-UHFFFAOYSA-N |
| Molecular Weight |
246.259 g/mol |
| SMILES |
COC(=O)CC(CCC(OC)=O)CC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839954 |
