SpectraBase Compound ID | 1dT47wzhbbM |
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InChI | InChI=1S/C12H19ClO/c13-12-9-7-5-3-1-2-4-6-8-11(12)10-14/h10H,1-9H2/b12-11- |
InChIKey | GADKRDHQQLRHQM-QXMHVHEDSA-N |
Mol Weight | 214.74 g/mol |
Molecular Formula | C12H19ClO |
Exact Mass | 214.112443 g/mol |
SpectraBase Spectrum ID | 3eLJiQlGnJu |
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Name | (Z)-2-Chlorocycloundec-1-enecarbaldehydyde |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 214.112442931 u |
Formula | C12H19ClO |
InChI | InChI=1S/C12H19ClO/c13-12-9-7-5-3-1-2-4-6-8-11(12)10-14/h10H,1-9H2/b12-11- |
InChIKey | GADKRDHQQLRHQM-QXMHVHEDSA-N |
Molecular Weight | 214.736 g/mol |
SMILES | C1\C(=C/(CCCCCCCC1)C=O)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96673 |