SpectraBase Compound ID | DI0nthuDllz |
---|---|
InChI | InChI=1S/C9H15NO/c1-5-6-7-10(8(2)3)9(4)11/h5-8H,1H2,2-4H3/b7-6+ |
InChIKey | AUEQRDSZFQCMBV-VOTSOKGWSA-N |
Mol Weight | 153.22 g/mol |
Molecular Formula | C9H15NO |
Exact Mass | 153.115364 g/mol |
SpectraBase Spectrum ID | 7hhlgSIERAY |
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Name | (E)-1-Amino-N-isopropyl-N-acetylbuta-1,3-diene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 153.115364106 u |
Formula | C9H15NO |
InChI | InChI=1S/C9H15NO/c1-5-6-7-10(8(2)3)9(4)11/h5-8H,1H2,2-4H3/b7-6+ |
InChIKey | AUEQRDSZFQCMBV-VOTSOKGWSA-N |
Molecular Weight | 153.225 g/mol |
SMILES | C(N(\C=C\C=C)C(C)C)(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884833 |