SpectraBase Compound ID | LnGkyKwhjKd |
---|---|
InChI | InChI=1S/C11H23NO/c1-5-6-7-8-10(4)12-11(13)9(2)3/h9-10H,5-8H2,1-4H3,(H,12,13) |
InChIKey | FGPZKZODRDQDKQ-UHFFFAOYSA-N |
Mol Weight | 185.31 g/mol |
Molecular Formula | C11H23NO |
Exact Mass | 185.177964 g/mol |
SpectraBase Spectrum ID | 7hXiNYSxgsO |
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Name | Isobutyramide, N-(hept-2-yl)- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 185.177964364 u |
Formula | C11H23NO |
InChI | InChI=1S/C11H23NO/c1-5-6-7-8-10(4)12-11(13)9(2)3/h9-10H,5-8H2,1-4H3,(H,12,13) |
InChIKey | FGPZKZODRDQDKQ-UHFFFAOYSA-N |
Molecular Weight | 185.311 g/mol |
SMILES | C(C(=O)NC(CCCCC)C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.990608 |