| SpectraBase Compound ID | G9G2IH4pXVM |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-7(2)6-9-5-3-4-8/h7H,3,5-6H2,1-2H3 |
| InChIKey | PHLODXGIZNXWBL-UHFFFAOYSA-N |
| Mol Weight | 127.19 g/mol |
| Molecular Formula | C7H13NO |
| Exact Mass | 127.099714 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BE98g7paOLp |
|---|---|
| Name | Propanenitrile, 3-(2-methylpropoxy)- |
| 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/c1-7(2)6-9-5-3-4-8/h7H,3,5-6H2,1-2H3 |
| InChIKey | PHLODXGIZNXWBL-UHFFFAOYSA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | C(OCC(C)C)CC#N |
| Spectrum/Structure Validation Score (Raman) | 0.995034 |