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(E)-Methyl-3-(3'-chloroprop-1'-enyl)benzoate

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(E)-Methyl-3-(3'-chloroprop-1'-enyl)benzoate
SpectraBase Compound ID GsKw3zB6wjW
InChI InChI=1S/C11H11ClO2/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2-6,8H,7H2,1H3/b5-3+
InChIKey NYAKPNDKEYPVJP-HWKANZROSA-N
Mol Weight 210.66 g/mol
Molecular Formula C11H11ClO2
Exact Mass 210.044757 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8lktglh4KUX
Name (E)-Methyl-3-(3'-chloroprop-1'-enyl)benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.044757292 u
Formula C11H11ClO2
InChI InChI=1S/C11H11ClO2/c1-14-11(13)10-6-2-4-9(8-10)5-3-7-12/h2-6,8H,7H2,1H3/b5-3+
InChIKey NYAKPNDKEYPVJP-HWKANZROSA-N
Molecular Weight 210.660 g/mol
SMILES C(C=1C=C(C=CC1)\C=C\CCl)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928755