SpectraBase Compound ID | AAuUTF907wO |
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InChI | InChI=1S/C8H16ClNO/c1-4-7(9)8(11)10-5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11) |
InChIKey | XHYLWKVPANMJTF-UHFFFAOYSA-N |
Mol Weight | 177.67 g/mol |
Molecular Formula | C8H16ClNO |
Exact Mass | 177.092042 g/mol |
SpectraBase Spectrum ID | 185ZQAJswTY |
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Name | Butyramide, 2-chloro-N-isobutyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 177.092041838 u |
Formula | C8H16ClNO |
InChI | InChI=1S/C8H16ClNO/c1-4-7(9)8(11)10-5-6(2)3/h6-7H,4-5H2,1-3H3,(H,10,11) |
InChIKey | XHYLWKVPANMJTF-UHFFFAOYSA-N |
Molecular Weight | 177.675 g/mol |
SMILES | C(=O)(NCC(C)C)C(CC)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952807 |