SpectraBase Compound ID | D7h4BMIY6Ie |
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InChI | InChI=1S/C10H18ClN/c1-10(2,3)9(11)12-8-6-4-5-7-8/h8H,4-7H2,1-3H3/b12-9- |
InChIKey | QVLICQFTPDDWHY-XFXZXTDPSA-N |
Mol Weight | 187.71 g/mol |
Molecular Formula | C10H18ClN |
Exact Mass | 187.112777 g/mol |
SpectraBase Spectrum ID | H43f6MEa2VP |
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Name | N-Cyclopentylpivalimidoyl chloride |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 187.112777284 u |
Formula | C10H18ClN |
InChI | InChI=1S/C10H18ClN/c1-10(2,3)9(11)12-8-6-4-5-7-8/h8H,4-7H2,1-3H3/b12-9- |
InChIKey | QVLICQFTPDDWHY-XFXZXTDPSA-N |
Molecular Weight | 187.714 g/mol |
SMILES | C(\C(=N\C1CCCC1)Cl)(C)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900317 |