SpectraBase Compound ID | EIFS6Nnkoh8 |
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InChI | InChI=1S/C9H15NO/c1-2-7-10-8-5-3-4-6-9(10)11/h2H,1,3-8H2 |
InChIKey | SDPNMKBPWRAPHY-UHFFFAOYSA-N |
Mol Weight | 153.22 g/mol |
Molecular Formula | C9H15NO |
Exact Mass | 153.115364 g/mol |
SpectraBase Spectrum ID | Jsey2g5GVPV |
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Name | 2H-Azepin-2-one, hexahydro-1-(2-propenyl)- |
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/c1-2-7-10-8-5-3-4-6-9(10)11/h2H,1,3-8H2 |
InChIKey | SDPNMKBPWRAPHY-UHFFFAOYSA-N |
Molecular Weight | 153.225 g/mol |
SMILES | C(CN1C(=O)CCCCC1)=C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979471 |