| SpectraBase Spectrum ID |
28a7IuqIflr |
| Name |
Methyl 2-methyl-5-[1'-formylpropyl]cyclopent-1-enecarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.125594437 u |
| Formula |
C12H18O3 |
| InChI |
InChI=1S/C12H18O3/c1-4-9(7-13)10-6-5-8(2)11(10)12(14)15-3/h7,9-10H,4-6H2,1-3H3 |
| InChIKey |
XNZIFBUDGOLJFV-UHFFFAOYSA-N |
| Molecular Weight |
210.273 g/mol |
| SMILES |
C1(=C(CCC1C(CC)C=O)C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.899604 |
![Methyl 2-methyl-5-[1'-formylpropyl]cyclopent-1-enecarboxylate](/api/spectrum/28a7IuqIflr/structure.png?h=300&w=458 "Methyl 2-methyl-5-[1'-formylpropyl]cyclopent-1-enecarboxylate")
