SpectraBase Compound ID | AylTdP8Flhw |
---|---|
InChI | InChI=1S/C17H30N2O2/c20-16(18-12-6-7-13-18)10-4-2-1-3-5-11-17(21)19-14-8-9-15-19/h1-15H2 |
InChIKey | HBBGZGDVWHGUHN-UHFFFAOYSA-N |
Mol Weight | 294.44 g/mol |
Molecular Formula | C17H30N2O2 |
Exact Mass | 294.230728 g/mol |
SpectraBase Spectrum ID | 41VzHrUbN4d |
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Name | 1,9-Nonanedioic acid, pyrrolidide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 294.230728212 u |
Formula | C17H30N2O2 |
InChI | InChI=1S/C17H30N2O2/c20-16(18-12-6-7-13-18)10-4-2-1-3-5-11-17(21)19-14-8-9-15-19/h1-15H2 |
InChIKey | HBBGZGDVWHGUHN-UHFFFAOYSA-N |
SMILES | C1N(CCC1)C(CCCCCCCC(N1CCCC1)=O)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.910644 |