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(2E)-6-Chloro-3,7-dimethylocta-2,7-dien-1-yl acetate

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

(2E)-6-Chloro-3,7-dimethylocta-2,7-dien-1-yl acetate
SpectraBase Compound ID LlXdFDWZzQk
InChI InChI=1S/C12H19ClO2/c1-9(2)12(13)6-5-10(3)7-8-15-11(4)14/h7,12H,1,5-6,8H2,2-4H3/b10-7+
InChIKey WPMFOBQJRQAIKY-JXMROGBWSA-N
Mol Weight 230.73 g/mol
Molecular Formula C12H19ClO2
Exact Mass 230.107358 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LMHuHDvF8Nu
Name (2E)-6-Chloro-3,7-dimethylocta-2,7-dien-1-yl acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.107357550 u
Formula C12H19ClO2
InChI InChI=1S/C12H19ClO2/c1-9(2)12(13)6-5-10(3)7-8-15-11(4)14/h7,12H,1,5-6,8H2,2-4H3/b10-7+
InChIKey WPMFOBQJRQAIKY-JXMROGBWSA-N
Molecular Weight 230.735 g/mol
SMILES C(C(CC\C(=C\COC(=O)C)C)Cl)(=C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923709