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Dimethyl 3-chloromethyl-4-vinyl-2-cyclopentene-1,1-dicarboxylate

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

Dimethyl 3-chloromethyl-4-vinyl-2-cyclopentene-1,1-dicarboxylate
SpectraBase Compound ID D4ottGqSdaA
InChI InChI=1S/C12H15ClO4/c1-4-8-5-12(10(14)16-2,11(15)17-3)6-9(8)7-13/h4,6,8H,1,5,7H2,2-3H3
InChIKey PZFQRUFKHFUGQN-UHFFFAOYSA-N
Mol Weight 258.7 g/mol
Molecular Formula C12H15ClO4
Exact Mass 258.065887 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1ycrdmdiT95
Name Dimethyl 3-chloromethyl-4-vinyl-2-cyclopentene-1,1-dicarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.065886659 u
Formula C12H15ClO4
InChI InChI=1S/C12H15ClO4/c1-4-8-5-12(10(14)16-2,11(15)17-3)6-9(8)7-13/h4,6,8H,1,5,7H2,2-3H3
InChIKey PZFQRUFKHFUGQN-UHFFFAOYSA-N
Molecular Weight 258.701 g/mol
SMILES C1(C=C(CCl)C(C1)C=C)(C(=O)OC)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972296