| SpectraBase Compound ID | EmuImcrPIfN |
|---|---|
| InChI | InChI=1S/C12H17N/c1-9(2)10-6-5-7-11(8-10)12(3,4)13/h5-8H,1,13H2,2-4H3 |
| InChIKey | DWDJGSQWSMJSGV-UHFFFAOYSA-N |
| Mol Weight | 175.27 g/mol |
| Molecular Formula | C12H17N |
| Exact Mass | 175.1361 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CMtuSp01rcq |
|---|---|
| Name | 1-(1-Amino-1-methylethyl)-3-isopropenylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 175.136099551 u |
| Formula | C12H17N |
| InChI | InChI=1S/C12H17N/c1-9(2)10-6-5-7-11(8-10)12(3,4)13/h5-8H,1,13H2,2-4H3 |
| InChIKey | DWDJGSQWSMJSGV-UHFFFAOYSA-N |
| Molecular Weight | 175.275 g/mol |
| SMILES | C1(C(N)(C)C)=CC(C(=C)C)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.965835 |