| SpectraBase Compound ID | 7up2Ywuv8Cg |
|---|---|
| InChI | InChI=1S/C7H14O2/c1-3-7(2)4-5-9-6-8/h6-7H,3-5H2,1-2H3 |
| InChIKey | XVTXGTMFTKXDJM-UHFFFAOYSA-N |
| Mol Weight | 130.19 g/mol |
| Molecular Formula | C7H14O2 |
| Exact Mass | 130.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DAHJpz9CBHU |
|---|---|
| Name | Formic acid, 3-methylpentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 130.099379689 u |
| Formula | C7H14O2 |
| InChI | InChI=1S/C7H14O2/c1-3-7(2)4-5-9-6-8/h6-7H,3-5H2,1-2H3 |
| InChIKey | XVTXGTMFTKXDJM-UHFFFAOYSA-N |
| Molecular Weight | 130.187 g/mol |
| SMILES | C(=O)OCCC(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.888848 |