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(2E)-3-Chloromethyl-7-methylocta-2,4-dienal

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

(2E)-3-Chloromethyl-7-methylocta-2,4-dienal
SpectraBase Compound ID 7DnfejzvU3J
InChI InChI=1S/C10H15ClO/c1-9(2)4-3-5-10(8-11)6-7-12/h3,5-7,9H,4,8H2,1-2H3/b5-3+,10-6+
InChIKey PXGUKFWNXLUBEN-YBRHCDHNSA-N
Mol Weight 186.68 g/mol
Molecular Formula C10H15ClO
Exact Mass 186.081143 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LhzIKnvpXa9
Name (2E)-3-Chloromethyl-7-methylocta-2,4-dienal
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 186.081142802 u
Formula C10H15ClO
InChI InChI=1S/C10H15ClO/c1-9(2)4-3-5-10(8-11)6-7-12/h3,5-7,9H,4,8H2,1-2H3/b5-3+,10-6+
InChIKey PXGUKFWNXLUBEN-YBRHCDHNSA-N
Molecular Weight 186.682 g/mol
SMILES C(\C=C/(\C=C\CC(C)C)CCl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.929843