| SpectraBase Compound ID | 3qS3cBHxa6k |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-5(2)6-3-7(9)8-4-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m1/s1 |
| InChIKey | YWJNZEJGGLBELP-ZCFIWIBFSA-N |
| Mol Weight | 127.19 g/mol |
| Molecular Formula | C7H13NO |
| Exact Mass | 127.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IU9vGKaIXF |
|---|---|
| Name | 4-Isopropylpyrrolidin-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.099714042 u |
| Formula | C7H13NO |
| InChI | InChI=1S/C7H13NO/c1-5(2)6-3-7(9)8-4-6/h5-6H,3-4H2,1-2H3,(H,8,9)/t6-/m1/s1 |
| InChIKey | YWJNZEJGGLBELP-ZCFIWIBFSA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | C1(NC[C@@](C1)(C(C)C)[H])=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.934316 |