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1-Chloro-1-methyl-2-(3,4-dimethoxyphenyl)cyclopropane

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

1-Chloro-1-methyl-2-(3,4-dimethoxyphenyl)cyclopropane
SpectraBase Compound ID OBwRvWhdd
InChI InChI=1S/C12H15ClO2/c1-12(13)7-9(12)8-4-5-10(14-2)11(6-8)15-3/h4-6,9H,7H2,1-3H3
InChIKey XBPBSQBVACYQND-UHFFFAOYSA-N
Mol Weight 226.7 g/mol
Molecular Formula C12H15ClO2
Exact Mass 226.076057 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ITExYUCwlvk
Name 1-Chloro-1-methyl-2-(3,4-dimethoxyphenyl)cyclopropane
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 226.076057421 u
Formula C12H15ClO2
InChI InChI=1S/C12H15ClO2/c1-12(13)7-9(12)8-4-5-10(14-2)11(6-8)15-3/h4-6,9H,7H2,1-3H3
InChIKey XBPBSQBVACYQND-UHFFFAOYSA-N
Molecular Weight 226.703 g/mol
SMILES C1(C(C=2C=C(OC)C(=CC2)OC)C1)(Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.971826