| SpectraBase Compound ID | JI2juIVo4AJ |
|---|---|
| InChI | InChI=1S/C8H15NO2/c1-7(2)8(3)5-4-6-9(10)11/h4-5,7-8H,6H2,1-3H3/b5-4+ |
| InChIKey | VAVAQUGHVPHFBZ-SNAWJCMRSA-N |
| Mol Weight | 157.21 g/mol |
| Molecular Formula | C8H15NO2 |
| Exact Mass | 157.110279 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E3viwTwywxE |
|---|---|
| Name | (E) 4,5-Dimethyl-1-nitrohex-2-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.110278725 u |
| Formula | C8H15NO2 |
| InChI | InChI=1S/C8H15NO2/c1-7(2)8(3)5-4-6-9(10)11/h4-5,7-8H,6H2,1-3H3/b5-4+ |
| InChIKey | VAVAQUGHVPHFBZ-SNAWJCMRSA-N |
| Molecular Weight | 157.213 g/mol |
| SMILES | CC(C(C)C)\C=C\C[N+](=O)[O-] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933626 |