SpectraBase Compound ID | LrRS7a0wo0w |
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InChI | InChI=1S/C8H15NO/c1-4-7-8(10)9(5-2)6-3/h4,7H,5-6H2,1-3H3/b7-4+ |
InChIKey | TXHUHDDZTWDOAJ-QPJJXVBHSA-N |
Mol Weight | 141.21 g/mol |
Molecular Formula | C8H15NO |
Exact Mass | 141.115364 g/mol |
SpectraBase Spectrum ID | G8TPuF9ULdG |
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Name | Crotonic acid, diethylamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 141.115364106 u |
Formula | C8H15NO |
InChI | InChI=1S/C8H15NO/c1-4-7-8(10)9(5-2)6-3/h4,7H,5-6H2,1-3H3/b7-4+ |
InChIKey | TXHUHDDZTWDOAJ-QPJJXVBHSA-N |
Molecular Weight | 141.214 g/mol |
SMILES | C\C=C\C(=O)N(CC)CC |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940011 |