| SpectraBase Compound ID | 73fR5AUG5vT |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-8(2)6-5-7-12-10(11)9(3)4/h8H,3,5-7H2,1-2,4H3 |
| InChIKey | TZCGFWIYMJNJIO-UHFFFAOYSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IPS38CCGczL |
|---|---|
| Name | 2-Methyl-2-propenoic acid 4-methylpentyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-8(2)6-5-7-12-10(11)9(3)4/h8H,3,5-7H2,1-2,4H3 |
| InChIKey | TZCGFWIYMJNJIO-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(C(=C)C)(=O)OCCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.973082 |