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(3E)-3-Chloromethyl-1,1-dimethoxy-7-methylocta-2,6-diene

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

(3E)-3-Chloromethyl-1,1-dimethoxy-7-methylocta-2,6-diene
SpectraBase Compound ID 4qr1J6AdnRN
InChI InChI=1S/C12H21ClO2/c1-10(2)6-5-7-11(9-13)8-12(14-3)15-4/h6,8,12H,5,7,9H2,1-4H3/b11-8+
InChIKey SAQMUUQXQZAKQT-DHZHZOJOSA-N
Mol Weight 232.75 g/mol
Molecular Formula C12H21ClO2
Exact Mass 232.123008 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8dOhoyeDosX
Name (3E)-3-Chloromethyl-1,1-dimethoxy-7-methylocta-2,6-diene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 232.123007614 u
Formula C12H21ClO2
InChI InChI=1S/C12H21ClO2/c1-10(2)6-5-7-11(9-13)8-12(14-3)15-4/h6,8,12H,5,7,9H2,1-4H3/b11-8+
InChIKey SAQMUUQXQZAKQT-DHZHZOJOSA-N
Molecular Weight 232.751 g/mol
SMILES C(\C(=C\C(OC)OC)CCC=C(C)C)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.901141