| SpectraBase Compound ID | IhfiFjVw4zm |
|---|---|
| InChI | InChI=1S/C11H20O2/c1-5-6-9(11(2,3)4)7-8-10(12)13/h5,9H,1,6-8H2,2-4H3,(H,12,13) |
| InChIKey | HBRNNZMJWFYCOR-UHFFFAOYSA-N |
| Mol Weight | 184.28 g/mol |
| Molecular Formula | C11H20O2 |
| Exact Mass | 184.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ACuJe2tlgBh |
|---|---|
| Name | 4-Tert-butylhept-6-enoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.146329882 u |
| Formula | C11H20O2 |
| InChI | InChI=1S/C11H20O2/c1-5-6-9(11(2,3)4)7-8-10(12)13/h5,9H,1,6-8H2,2-4H3,(H,12,13) |
| InChIKey | HBRNNZMJWFYCOR-UHFFFAOYSA-N |
| Molecular Weight | 184.279 g/mol |
| SMILES | C(=O)(CCC(C(C)(C)C)CC=C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.92327 |