| SpectraBase Compound ID | DdIBtYuX7Bc |
|---|---|
| InChI | InChI=1S/C10H17NO/c1-9(2)8-11-7-5-3-4-6-10(11)12/h8H,3-7H2,1-2H3 |
| InChIKey | GFFYMDHYRONCRJ-UHFFFAOYSA-N |
| Mol Weight | 167.25 g/mol |
| Molecular Formula | C10H17NO |
| Exact Mass | 167.131014 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5prpthfnsmJ |
|---|---|
| Name | 2H-Azepin-2-one, hexahydro-1-(2-methyl-1-propenyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.131014170 u |
| Formula | C10H17NO |
| InChI | InChI=1S/C10H17NO/c1-9(2)8-11-7-5-3-4-6-10(11)12/h8H,3-7H2,1-2H3 |
| InChIKey | GFFYMDHYRONCRJ-UHFFFAOYSA-N |
| Molecular Weight | 167.252 g/mol |
| SMILES | C1(N(CCCCC1)C=C(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831572 |