| SpectraBase Compound ID | JgiwdO8qYXv |
|---|---|
| InChI | InChI=1S/C13H24/c1-10(12(3,4)5)9-11(2)13(6,7)8/h9H,1H2,2-8H3/b11-9+ |
| InChIKey | RTSPCUSBLOXPSI-PKNBQFBNSA-N |
| Mol Weight | 180.33 g/mol |
| Molecular Formula | C13H24 |
| Exact Mass | 180.187801 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4FS5cEdsEr3 |
|---|---|
| Name | 1,3-Pentadiene, 2,4-di-T-butyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.187800773 u |
| Formula | C13H24 |
| InChI | InChI=1S/C13H24/c1-10(12(3,4)5)9-11(2)13(6,7)8/h9H,1H2,2-8H3/b11-9+ |
| InChIKey | RTSPCUSBLOXPSI-PKNBQFBNSA-N |
| Molecular Weight | 180.335 g/mol |
| SMILES | C=C(C(C)(C)C)\C=C/(C)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919771 |