| SpectraBase Compound ID | J9CSIbOpfN2 |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-7(10-3)4-5(7)6(8)9-2/h5H,4H2,1-3H3 |
| InChIKey | LPXAEMHNYWXEQI-UHFFFAOYSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LEAfraHp6cf |
|---|---|
| Name | Cyclopropanecarboxylic acid, 2-methyl-2-methoxy, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-7(10-3)4-5(7)6(8)9-2/h5H,4H2,1-3H3 |
| InChIKey | LPXAEMHNYWXEQI-UHFFFAOYSA-N |
| SMILES | C1(C(C(OC)=O)C1)(C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976091 |